A0A3Q0KJG3_SCHMA Loading...

Putative 1-acylglycerol-3-phosphate acyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KJG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 487 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	31.5	Very low	234 Å²	234	142.5 Å²	142.5	100%	1.153	80%	0.801	S	S	*	*				0	96.9	0	-79.9	168.1	157.1	0	0	106.4	D3	M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 3.33Å
2	S	31.4	Very low	31.9	Very low	118 Å²	118	143.7 Å²	143.7	83%	0.825	80%	0.796	S	S	*	*			trans	-83.6	77.7	-177.9	53.9	0	0	0	0	108.8	A4	S2-A4 VanDerWaalsContact C-N 3.27Å; S2-A4 PolarHBondContact O-N 3.33Å
3	D	32.2	Very low	32.2	Very low	152 Å²	152	137.8 Å²	137.8	81%	0.813	77%	0.77	S	S	*	*			trans	-78.2	92	166.2	-73.1	-28.7	0	0	0	106.8	M1 V5	M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 3.33Å; D3-V5 PolarHBondContact O-N 3.11Å; D3-V5 VanDerWaalsContact O-N 3.13Å
4	A	33	Very low	32.6	Very low	89 Å²	89	134.8 Å²	134.8	74%	0.736	75%	0.747	S	S	*	*			trans	-53.8	116.3	173.1	0	0	0	0	0	108.4	S2 K6	S2-A4 VanDerWaalsContact C-N 3.27Å; S2-A4 PolarHBondContact O-N 3.33Å; A4-K6 PolarHBondContact O-N 3.07Å
5	V	30.1	Very low	32.8	Very low	132 Å²	132	137.6 Å²	137.6	80%	0.8	74%	0.742	S	S	*	*			trans	-51.1	110.6	167.1	175.1	0	0	0	0	106.6	D3 V7	D3-V5 PolarHBondContact O-N 3.11Å; D3-V5 VanDerWaalsContact O-N 3.13Å; V5-V7 VanDerWaalsContact C-N 3.35Å; V5-V7 PolarHBondContact O-N 3.31Å
6	K	27.5	Very low	32.9	Very low	195 Å²	195	139.1 Å²	139.1	85%	0.848	74%	0.743	S	S	*	*			trans	-60.3	100.9	172.2	-98.9	-178.6	172.4	179.7	0	107.2	A4 I8	A4-K6 PolarHBondContact O-N 3.07Å; K6-I8 PolarHBondContact O-N 3.34Å; K6-I8 VanDerWaalsContact O-N 3.09Å
7	V	29.2	Very low	32.9	Very low	126 Å²	126	139.7 Å²	139.7	76%	0.764	75%	0.746	S	S	*	*			trans	-62.4	106.5	161.9	-179	0	0	0	0	105.4	V5 P9	V5-V7 VanDerWaalsContact C-N 3.35Å; V5-V7 PolarHBondContact O-N 3.31Å; V7-P9 WeakPolarHBondContact O-CD 3.35Å
8	I	29.4	Very low	33	Very low	149 Å²	149	135.3 Å²	135.3	76%	0.764	73%	0.728	S	S	*	*			trans	-68	119.9	171.8	-61.4	174.5	0	0	0	105.1	K6	K6-I8 PolarHBondContact O-N 3.34Å; K6-I8 VanDerWaalsContact O-N 3.09Å
9	P	28	Very low	32.8	Very low	107 Å²	107	134.5 Å²	134.5	70%	0.695	73%	0.728	S	S	*	*			trans	-63.5	139.8	-177	-12.5	25.1	0	0	0	110.2	V7 D11	V7-P9 WeakPolarHBondContact O-CD 3.35Å; P9-D11 PolarHBondContact O-N 2.85Å; P9-D11 VanDerWaalsContact O-N 3.08Å
10	D	36.8	Very low	32.6	Very low	161 Å²	161	132.9 Å²	132.9	86%	0.861	73%	0.727	S	S	*	*			trans	-52.2	113.7	171.7	-79	-37.8	0	0	0	109.8	E12	D10-E12 PolarHBondContact O-N 3.05Å; D10-E12 VanDerWaalsContact O-N 3.09Å
11	D	36	Very low	32.5	Very low	104 Å²	104	132 Å²	132	56%	0.556	73%	0.728	S	S	*	*			trans	-75.7	97.8	176.7	-168.6	-8.5	0	0	0	108.3	P9 S13 Q14	P9-D11 PolarHBondContact O-N 2.85Å; P9-D11 VanDerWaalsContact O-N 3.08Å; D11-S13 PolarHBondContact O-N 3.36Å; D11-S13 VanDerWaalsContact OD1-CB 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.47Å; D11-S13 PolarHBondContact OD1-N 3.29Å; D11-S13 PolarHBondContact OD1-OG 3.48Å; D11-S13 PolarHBondContact OD2-OG 3.23Å; D11-Q14 PolarHBondContact O-N 3.49Å
12	E	36.5	Very low	32.5	Very low	157 Å²	157	125.1 Å²	125.1	73%	0.734	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-21.4	176.4	-76.1	-175	150.8	0	0	112.4	D10 Q14 R15	D10-E12 PolarHBondContact O-N 3.05Å; D10-E12 VanDerWaalsContact O-N 3.09Å; E12-Q14 PolarHBondContact O-N 3.49Å; E12-Q14 VanDerWaalsContact O-N 3.16Å; E12-R15 WeakPolarHBondContact O-CB 3.29Å; E12-R15 PolarHBondContact O-N 3.3Å
13	S	36.6	Very low	32.4	Very low	67 Å²	67	127.9 Å²	127.9	47%	0.469	70%	0.703	S	S	.	*	H	α-helix	trans	-64	-18.2	175	76	0	0	0	0	113.7	D11 R15	D11-S13 PolarHBondContact O-N 3.36Å; D11-S13 VanDerWaalsContact OD1-CB 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.47Å; D11-S13 PolarHBondContact OD1-N 3.29Å; D11-S13 PolarHBondContact OD1-OG 3.48Å; D11-S13 PolarHBondContact OD2-OG 3.23Å; S13-R15 VanDerWaalsContact C-N 3.34Å
14	Q	37.8	Very low	32.3	Very low	96 Å²	96	126.2 Å²	126.2	45%	0.449	70%	0.7	S	S	.	*	H	α-helix	trans	-79.7	-13.4	173.7	-64.5	-128	-21.4	0	0	113.6	D11 E12	D11-Q14 PolarHBondContact O-N 3.49Å; E12-Q14 PolarHBondContact O-N 3.49Å; E12-Q14 VanDerWaalsContact O-N 3.16Å
15	R	35	Very low	32.4	Very low	177 Å²	177	126.4 Å²	126.4	67%	0.668	69%	0.692	S	S	*	*	H	α-helix	trans	-76.1	-33	171.2	-76.2	-174.3	178.6	-177.3	0.5	112	E12 S13 N17 C18	E12-R15 WeakPolarHBondContact O-CB 3.29Å; E12-R15 PolarHBondContact O-N 3.3Å; S13-R15 VanDerWaalsContact C-N 3.34Å; R15-N17 VanDerWaalsContact C-N 3.28Å; R15-N17 PolarHBondContact O-N 2.89Å; R15-C18 PolarHBondContact O-N 3.28Å
16	E	33.9	Very low	32.3	Very low	162 Å²	162	125.9 Å²	125.9	76%	0.757	69%	0.689	S	S	*	*	H	α-helix	trans	-71.1	-19.4	-175.2	-71	-169.4	158.7	0	0	114.1
17	N	32.7	Very low	32.7	Very low	149 Å²	149	125.9 Å²	125.9	80%	0.797	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-0.1	175.2	-82.7	-17	0	0	0	114.6	R15 T19	R15-N17 VanDerWaalsContact C-N 3.28Å; R15-N17 PolarHBondContact O-N 2.89Å; N17-T19 VanDerWaalsContact C-N 3.33Å; N17-T19 PolarHBondContact O-N 2.93Å
18	C	34.8	Very low	32.9	Very low	61 Å²	61	126.3 Å²	126.3	41%	0.412	69%	0.692	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.2	-4.2	-179.5	-71.1	0	0	0	0	114.4	R15	R15-C18 PolarHBondContact O-N 3.28Å
19	T	29.3	Very low	33	Very low	119 Å²	119	127.8 Å²	127.8	73%	0.73	70%	0.696	S	S	*	*			trans	-113.4	64.6	-178	56.7	0	0	0	0	111.9	N17	N17-T19 VanDerWaalsContact C-N 3.33Å; N17-T19 PolarHBondContact O-N 2.93Å
20	S	29	Very low	33.3	Very low	102 Å²	102	132.4 Å²	132.4	71%	0.713	71%	0.705	S	S	*	*			trans	-92	110.3	150.9	40.2	0	0	0	0	106.8	S22	S20-S22 PolarHBondContact O-N 3.38Å
21	P	30.8	Very low	33.3	Very low	116 Å²	116	130.1 Å²	130.1	75%	0.753	70%	0.701	S	S	*	*			trans	-56.8	127.1	173.4	-14.5	26.7	0	0	0	107	E23	P21-E23 PolarHBondContact O-N 3.1Å
22	S	32.8	Very low	33.3	Very low	88 Å²	88	133.8 Å²	133.8	62%	0.615	72%	0.715	S	S	*	*			trans	-53.9	109.3	169.6	50.8	0	0	0	0	107.8	S20	S20-S22 PolarHBondContact O-N 3.38Å
23	E	28.9	Very low	33.4	Very low	176 Å²	176	132 Å²	132	82%	0.822	72%	0.72	S	S	*	*			trans	-54.2	130.5	170.9	-79.3	-174	157.2	0	0	107.7	P21 V25	P21-E23 PolarHBondContact O-N 3.1Å; E23-V25 PolarHBondContact O-N 3.47Å
24	P	31.1	Very low	33.9	Very low	117 Å²	117	133.7 Å²	133.7	76%	0.76	73%	0.732	S	S	*	*			trans	-61.8	114	177.7	23.2	-29.7	0	0	0	107.8	T26	P24-T26 PolarHBondContact O-N 3.03Å
25	V	34.1	Very low	34.5	Very low	94 Å²	94	134.5 Å²	134.5	57%	0.57	75%	0.747	S	S	*	*			trans	-55.9	107.1	174	178.9	0	0	0	0	107	E23 F27	E23-V25 PolarHBondContact O-N 3.47Å; V25-F27 PolarHBondContact O-N 3.19Å
26	T	29	Very low	35.6	Very low	120 Å²	120	129 Å²	129	74%	0.736	74%	0.735	S	S	*	*			trans	-65.3	122.9	174.8	31.2	0	0	0	0	107.8	P24 V28	P24-T26 PolarHBondContact O-N 3.03Å; T26-V28 PolarHBondContact O-N 3.2Å
27	F	35	Very low	37.5	Very low	195 Å²	195	125.8 Å²	125.8	86%	0.855	73%	0.729	S	S	*	*			trans	-61.8	101.4	176.9	-76.3	-89.9	0	0	0	108.7	V25 E29	V25-F27 PolarHBondContact O-N 3.19Å; F27-E29 PolarHBondContact O-N 3.37Å
28	V	34.1	Very low	40	Very low	135 Å²	135	120.3 Å²	120.3	82%	0.818	70%	0.702	S	S	*	*			trans	-65.5	116.4	174.1	177.7	0	0	0	0	108	T26	T26-V28 PolarHBondContact O-N 3.2Å
29	E	31.6	Very low	42.8	Very low	181 Å²	181	120 Å²	120	85%	0.846	70%	0.698	S	S	*	*			trans	-52.9	141.7	172.9	-92.6	179.4	147.8	0	0	111.4	F27 S31	F27-E29 PolarHBondContact O-N 3.37Å; E29-S31 PolarHBondContact O-N 3.36Å
30	K	33.9	Very low	45.9	Very low	204 Å²	204	115.3 Å²	115.3	89%	0.887	67%	0.669	S	S	*	*			trans	-45.2	105	-178.5	-84.5	176.1	171.3	173.1	0	111.6	E32	K30-E32 PolarHBondContact O-N 2.91Å
31	S	36.4	Very low	49	Very low	112 Å²	112	113 Å²	113	78%	0.783	65%	0.647	S	S	*	*			trans	-67.6	130.2	159.4	53.9	0	0	0	0	108.8	E29 S33	E29-S31 PolarHBondContact O-N 3.36Å; S31-S33 PolarHBondContact O-N 3.46Å
32	E	35.8	Very low	51.9	Low	182 Å²	182	108.3 Å²	108.3	85%	0.85	62%	0.617	S	S	*	*			trans	-55.8	133.5	-175.3	-68.1	174.1	146.9	0	0	112.3	K30 S34	K30-E32 PolarHBondContact O-N 2.91Å; E32-S34 PolarHBondContact O-N 3.38Å; E32-S34 VanDerWaalsContact O-N 3.08Å
33	S	38.5	Very low	54.6	Low	120 Å²	120	109.3 Å²	109.3	84%	0.839	61%	0.614	S	S	*	*			trans	-9.5	91.6	164.9	60.3	0	0	0	0	117.4	S31	S31-S33 PolarHBondContact O-N 3.46Å
34	S	46.5	Very low	57.3	Low	101 Å²	101	103.9 Å²	103.9	71%	0.706	59%	0.594	S	S	*	*			trans	-125.2	117	130	66.1	0	0	0	0	105.7	E32 S36	E32-S34 PolarHBondContact O-N 3.38Å; E32-S34 VanDerWaalsContact O-N 3.08Å; S34-S36 VanDerWaalsContact C-N 3.29Å; S34-S36 PolarHBondContact O-N 2.84Å
35	C	50.8	Low	59.8	Low	114 Å²	114	100.6 Å²	100.6	77%	0.77	57%	0.573	S	S	*	*			trans	-61.4	99.4	177.5	-165	0	0	0	0	106.2
36	S	58.8	Low	62	Low	60 Å²	60	106.4 Å²	106.4	42%	0.42	59%	0.59	S	S	.	*			trans	-54	127.8	179.8	-86.9	0	0	0	0	106.8	S34 C38 R243	S34-S36 VanDerWaalsContact C-N 3.29Å; S34-S36 PolarHBondContact O-N 2.84Å; S36-C38 PolarHBondContact O-N 3.05Å; S36-R243 PolarHBondContact O-NH2 3.39Å
37	P	73.4	Confident	64.7	Low	95 Å²	95	103.2 Å²	103.2	62%	0.617	57%	0.568	S	S	*	*			trans	-47.3	136.7	-174.3	-25	29.4	0	0	0	110.2	V39 R243	P37-V39 HydrophobicContact CB-CB 4.3Å; P37-V39 HydrophobicContact CB-CG2 3.7Å; P37-V39 PolarHBondContact O-N 3.1Å; P37-R243 PolarHBondContact O-NE 3.07Å
38	C	85.8	Confident	67	Low	34 Å²	34	99.4 Å²	99.4	23%	0.23	56%	0.563	C	S	.	*	S	Bend	trans	-74.3	61	176.3	-165	0	0	0	0	110.4	S36 S224 L227 E228	S36-C38 PolarHBondContact O-N 3.05Å; C38-S224 PolarHBondContact O-OG 2.95Å; C38-S224 PolarHBondContact SG-O 3.01Å; C38-L227 VanDerWaalsContact SG-CB 3.57Å; C38-L227 VanDerWaalsContact SG-CG 3.52Å; C38-E228 HydrophobicContact CB-CG 4.35Å; C38-E228 VanDerWaalsContact SG-CG 3.57Å; C38-E228 PolarHBondContact SG-N 3.42Å; C38-E228 VanDerWaalsContact SG-N 3.36Å
39	V	92.8	Very high	69.4	Low	56 Å²	56	96.7 Å²	96.7	34%	0.339	55%	0.547	S	S	.	.			trans	-120.4	114.8	-174.4	179.9	0	0	0	0	107.4	P37 Q41 I43	P37-V39 HydrophobicContact CB-CB 4.3Å; P37-V39 HydrophobicContact CB-CG2 3.7Å; P37-V39 PolarHBondContact O-N 3.1Å; V39-Q41 PolarHBondContact O-N 3.13Å; V39-I43 HydrophobicContact CG1-CD1 4.25Å; V39-I43 HydrophobicContact CG1-CG1 4.06Å
40	P	94.3	Very high	72	Confident	19 Å²	19	91.6 Å²	91.6	12%	0.123	53%	0.525	C	S	.	.			trans	-52.8	134.5	172.8	-29.4	36.1	0	0	0	112.7	L222 L227	P40-L222 HydrophobicContact CB-CD1 4.09Å; P40-L222 HydrophobicContact CB-CD2 4.33Å; P40-L222 HydrophobicContact CB-CG 3.9Å; P40-L222 HydrophobicContact CG-CD1 4.14Å; P40-L222 HydrophobicContact CG-CG 4.29Å; P40-L227 HydrophobicContact CG-CD2 4.22Å
41	Q	94.6	Very high	74.7	Confident	54 Å²	54	90.2 Å²	90.2	25%	0.252	52%	0.519	S	S	.	.	S	Bend	trans	-106.8	152.4	175.9	-64.5	-60.4	-31.6	0	0	111.4	V39 R142 R243 Y244	V39-Q41 PolarHBondContact O-N 3.13Å; Q41-R142 PolarHBondContact O-NH1 3.45Å; Q41-R243 HydrophobicContact CB-CB 4.1Å; Q41-R243 HydrophobicContact CG-CB 3.85Å; Q41-R243 PolarHBondContact N-O 2.84Å; Q41-Y244 VanDerWaalsContact C-CD1 3.44Å; Q41-Y244 HydrophobicContact CB-CD1 3.79Å; Q41-Y244 HydrophobicContact CB-CD2 4Å; Q41-Y244 HydrophobicContact CB-CE1 3.5Å; Q41-Y244 VanDerWaalsContact CB-CE1 3.5Å; Q41-Y244 HydrophobicContact CB-CE2 3.69Å; Q41-Y244 HydrophobicContact CB-CG 4.05Å; Q41-Y244 VanDerWaalsContact CB-CZ 3.44Å; Q41-Y244 HydrophobicContact CG-CE2 4.39Å; Q41-Y244 WeakPolarHBondContact O-CD1 3.36Å
42	P	92.5	Very high	77.5	Confident	17 Å²	17	89.7 Å²	89.7	11%	0.11	51%	0.507	C	S	.	.	S	Bend	cis	-67.7	154.9	-13.1	34.4	-37.4	0	0	0	109.9	P44 R142 Y244 Y344	P42-P44 WeakPolarHBondContact O-CD 2.97Å; P42-R142 PolarHBondContact O-NH2 3.49Å; P42-Y244 HydrophobicContact CB-CE1 4.31Å; P42-Y344 HydrophobicContact CB-CD1 4.24Å; P42-Y344 HydrophobicContact CB-CD2 4.49Å; P42-Y344 HydrophobicContact CB-CG 4.07Å; P42-Y344 VanDerWaalsContact CD-CE2 3.47Å; P42-Y344 HydrophobicContact CG-CD1 3.58Å; P42-Y344 HydrophobicContact CG-CD2 3.86Å; P42-Y344 HydrophobicContact CG-CE1 3.7Å; P42-Y344 HydrophobicContact CG-CE2 3.97Å; P42-Y344 HydrophobicContact CG-CG 3.66Å
43	I	88.7	Confident	80.2	Confident	109 Å²	109	83.3 Å²	83.3	56%	0.559	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-65.4	125.7	165.9	-61.6	172.7	0	0	0	107.3	V39	V39-I43 HydrophobicContact CG1-CD1 4.25Å; V39-I43 HydrophobicContact CG1-CG1 4.06Å
44	P	84.8	Confident	82.9	Confident	63 Å²	63	77.7 Å²	77.7	41%	0.409	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-56.7	128.9	-180	-25.6	34.6	0	0	0	110.9	P42 L279	P42-P44 WeakPolarHBondContact O-CD 2.97Å; P44-L279 HydrophobicContact CB-CB 4.15Å; P44-L279 HydrophobicContact CG-CB 4.04Å; P44-L279 HydrophobicContact CG-CD2 3.75Å
45	P	84	Confident	85.3	Confident	47 Å²	47	77.4 Å²	77.4	31%	0.305	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-66.3	143.7	178.4	29.4	-35.2	0	0	0	110.1	L47 D277 I348	P45-L47 VanDerWaalsContact C-N 3.31Å; P45-L47 HydrophobicContact CB-CG 4.25Å; P45-L47 HydrophobicContact CG-CD1 4Å; P45-L47 HydrophobicContact CG-CG 4.1Å; P45-L47 PolarHBondContact O-N 3.44Å; P45-D277 VanDerWaalsContact CD-O 3.28Å; P45-D277 WeakPolarHBondContact CD-O 3.32Å; P45-D277 WeakPolarHBondContact CG-O 3.47Å; P45-I348 HydrophobicContact CB-CD1 3.84Å; P45-I348 HydrophobicContact CG-CD1 3.65Å
46	K	81.8	Confident	87.6	Confident	217 Å²	217	75 Å²	75	94%	0.943	40%	0.401	S	S	*	.			trans	-78.1	83.7	173.6	-68.4	-176	-179.2	179.4	0	109.5
47	L	85.2	Confident	89.4	Confident	52 Å²	52	72.2 Å²	72.2	27%	0.272	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-87.1	147.5	175.5	-67.4	171.7	0	0	0	110.9	P45 D277 I278 I348	P45-L47 VanDerWaalsContact C-N 3.31Å; P45-L47 HydrophobicContact CB-CG 4.25Å; P45-L47 HydrophobicContact CG-CD1 4Å; P45-L47 HydrophobicContact CG-CG 4.1Å; P45-L47 PolarHBondContact O-N 3.44Å; L47-D277 HydrophobicContact CD1-CB 3.99Å; L47-I278 HydrophobicContact CB-CG1 4.32Å; L47-I278 HydrophobicContact CD1-CD1 4.3Å; L47-I278 HydrophobicContact CD1-CG1 3.5Å; L47-I348 HydrophobicContact CD1-CD1 4.39Å; L47-I348 HydrophobicContact CD2-CD1 4.3Å
48	P	83.7	Confident	90.5	Very high	115 Å²	115	71.5 Å²	71.5	75%	0.747	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-62.6	140.1	-179.6	26.4	-34.1	0	0	0	111.1
49	V	83.4	Confident	91.1	Very high	78 Å²	78	73.9 Å²	73.9	47%	0.473	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-75	129.9	177.5	173.9	0	0	0	0	110.2	Y288 H290	V49-Y288 WeakPolarHBondContact CG1-O 3.44Å; V49-H290 VanDerWaalsContact CG2-CE1 3.41Å; V49-H290 WeakPolarHBondContact CG2-CE1 3.44Å; V49-H290 WeakPolarHBondContact CG2-NE2 3.33Å
50	N	87.3	Confident	91.4	Very high	74 Å²	74	71.2 Å²	71.2	40%	0.396	37%	0.365	S	S	.	.			trans	-110.1	107.7	170.3	-171.9	-20.3	0	0	0	110.8	L52 Y53 G54	N50-L52 PolarHBondContact O-N 3.35Å; N50-L52 VanDerWaalsContact O-N 3.15Å; N50-L52 WeakPolarHBondContact OD1-CB 3.38Å; N50-L52 PolarHBondContact OD1-N 3.23Å; N50-Y53 HydrophobicContact CB-CD2 3.68Å; N50-Y53 HydrophobicContact CB-CE2 4.35Å; N50-Y53 WeakPolarHBondContact ND2-CD2 3.34Å; N50-Y53 WeakPolarHBondContact ND2-CE2 3.32Å; N50-Y53 PolarHBondContact O-N 2.85Å; N50-G54 PolarHBondContact O-N 3.43Å
51	K	90.6	Very high	91.5	Very high	175 Å²	175	72.9 Å²	72.9	76%	0.761	37%	0.372	S	S	*	.	H	α-helix	trans	-57.9	-29.3	-178.9	-67.3	-176.8	179.3	179.4	0	113.2	Y53 G54 I55	K51-Y53 VanDerWaalsContact C-N 3.33Å; K51-Y53 PolarHBondContact O-N 2.79Å; K51-G54 PolarHBondContact O-N 2.91Å; K51-I55 WeakPolarHBondContact O-CG1 3.32Å; K51-I55 PolarHBondContact O-N 2.97Å
52	L	94.1	Very high	91.7	Very high	102 Å²	102	73.9 Å²	73.9	53%	0.534	38%	0.384	S	S	.	.	H	α-helix	trans	-63	-41.1	176.8	-180	62.2	0	0	0	111.3	N50 G54 I55 R56	N50-L52 PolarHBondContact O-N 3.35Å; N50-L52 VanDerWaalsContact O-N 3.15Å; N50-L52 WeakPolarHBondContact OD1-CB 3.38Å; N50-L52 PolarHBondContact OD1-N 3.23Å; L52-G54 VanDerWaalsContact C-N 3.28Å; L52-G54 PolarHBondContact O-N 3.45Å; L52-I55 PolarHBondContact O-N 3.07Å; L52-R56 WeakPolarHBondContact O-CB 3.18Å; L52-R56 VanDerWaalsContact O-CG 3.29Å; L52-R56 WeakPolarHBondContact O-CG 3.41Å; L52-R56 PolarHBondContact O-N 3.42Å
53	Y	93.5	Very high	92	Very high	47 Å²	47	74.5 Å²	74.5	18%	0.184	39%	0.387	C	S	.	.	H	α-helix	trans	-66.4	-33.2	175.5	-75.8	-93.7	0	0	0	111.6	N50 K51 R56 A57 F113 V291 H293	N50-Y53 HydrophobicContact CB-CD2 3.68Å; N50-Y53 HydrophobicContact CB-CE2 4.35Å; N50-Y53 WeakPolarHBondContact ND2-CD2 3.34Å; N50-Y53 WeakPolarHBondContact ND2-CE2 3.32Å; N50-Y53 PolarHBondContact O-N 2.85Å; K51-Y53 VanDerWaalsContact C-N 3.33Å; K51-Y53 PolarHBondContact O-N 2.79Å; Y53-R56 PolarHBondContact O-N 2.85Å; Y53-A57 WeakPolarHBondContact O-CB 3.44Å; Y53-A57 PolarHBondContact O-N 2.89Å; Y53-F113 WeakPolarHBondContact CD1-O 3.31Å; Y53-V291 HydrophobicContact CD1-CB 4.23Å; Y53-H293 AromaticContact CZ-NE2 3.97Å
54	G	95.1	Very high	92.4	Very high	2 Å²	2	70.1 Å²	70.1	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-62.8	-45.7	173.1	0	0	0	0	0	112.4	N50 K51 L52 A57 I58 I287 G289	N50-G54 PolarHBondContact O-N 3.43Å; K51-G54 PolarHBondContact O-N 2.91Å; L52-G54 VanDerWaalsContact C-N 3.28Å; L52-G54 PolarHBondContact O-N 3.45Å; G54-A57 WeakPolarHBondContact O-CB 3.45Å; G54-A57 PolarHBondContact O-N 3.49Å; G54-I58 WeakPolarHBondContact O-CG1 3.39Å; G54-I58 PolarHBondContact O-N 3.15Å; G54-I287 VanDerWaalsContact CA-O 3.3Å; G54-I287 WeakPolarHBondContact CA-O 3.36Å; G54-G289 VanDerWaalsContact N-CA 3.32Å
55	I	97.1	Very high	93	Very high	95 Å²	95	71.3 Å²	71.3	49%	0.487	37%	0.367	S	S	.	.	H	α-helix	trans	-62.2	-45.8	175.2	-65.9	167.8	0	0	0	110.8	K51 L52 A57 I58 I59	K51-I55 WeakPolarHBondContact O-CG1 3.32Å; K51-I55 PolarHBondContact O-N 2.97Å; L52-I55 PolarHBondContact O-N 3.07Å; I55-A57 VanDerWaalsContact C-N 3.3Å; I55-A57 PolarHBondContact O-N 3.46Å; I55-I58 PolarHBondContact O-N 3.27Å; I55-I59 HydrophobicContact CG2-CD1 3.89Å; I55-I59 HydrophobicContact CG2-CG1 4.49Å; I55-I59 WeakPolarHBondContact O-CG1 3.43Å; I55-I59 PolarHBondContact O-N 3.05Å
56	R	97.4	Very high	93.7	Very high	65 Å²	65	73.2 Å²	73.2	25%	0.245	37%	0.37	C	S	.	.	H	α-helix	trans	-58.5	-42.2	175.4	-74.1	173.3	73.7	-177.1	5.3	111.9	L52 Y53 I59 G60 K111 V112 G114	L52-R56 WeakPolarHBondContact O-CB 3.18Å; L52-R56 VanDerWaalsContact O-CG 3.29Å; L52-R56 WeakPolarHBondContact O-CG 3.41Å; L52-R56 PolarHBondContact O-N 3.42Å; Y53-R56 PolarHBondContact O-N 2.85Å; R56-I59 PolarHBondContact O-N 3.3Å; R56-G60 PolarHBondContact O-N 3.28Å; R56-K111 PolarHBondContact NH2-O 2.97Å; R56-V112 WeakPolarHBondContact CB-O 3.24Å; R56-V112 VanDerWaalsContact CZ-O 3.24Å; R56-V112 PolarHBondContact NE-O 3.4Å; R56-V112 PolarHBondContact NH2-O 3.03Å; R56-V112 VanDerWaalsContact NH2-O 3.11Å; R56-V112 WeakPolarHBondContact O-CG1 3.37Å; R56-G114 VanDerWaalsContact NH2-CA 3.28Å
57	A	97	Very high	94.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.9	-46.3	176.1	0	0	0	0	0	111.7	Y53 G54 I55 I59 G60 I61 F113 L286 V291	Y53-A57 WeakPolarHBondContact O-CB 3.44Å; Y53-A57 PolarHBondContact O-N 2.89Å; G54-A57 WeakPolarHBondContact O-CB 3.45Å; G54-A57 PolarHBondContact O-N 3.49Å; I55-A57 VanDerWaalsContact C-N 3.3Å; I55-A57 PolarHBondContact O-N 3.46Å; A57-I59 PolarHBondContact O-N 2.89Å; A57-G60 PolarHBondContact O-N 3.45Å; A57-I61 WeakPolarHBondContact O-CB 3.34Å; A57-I61 WeakPolarHBondContact O-CG1 3.36Å; A57-I61 PolarHBondContact O-N 3.09Å; A57-F113 HydrophobicContact CB-CE1 4.31Å; A57-F113 WeakPolarHBondContact O-CE1 3.27Å; A57-L286 HydrophobicContact CB-CB 4.16Å; A57-L286 VanDerWaalsContact CB-O 3.29Å; A57-L286 WeakPolarHBondContact CB-O 3.44Å; A57-V291 HydrophobicContact CB-CG2 3.95Å
58	I	97.8	Very high	95.1	Very high	80 Å²	80	60.6 Å²	60.6	41%	0.41	31%	0.314	S	S	.	.	H	α-helix	trans	-58.8	-47.6	175.9	-67.5	165	0	0	0	110.8	G54 I55 G60 I61 C62 I287	G54-I58 WeakPolarHBondContact O-CG1 3.39Å; G54-I58 PolarHBondContact O-N 3.15Å; I55-I58 PolarHBondContact O-N 3.27Å; I58-G60 PolarHBondContact O-N 3.24Å; I58-I61 PolarHBondContact O-N 3.1Å; I58-C62 WeakPolarHBondContact O-CB 3.3Å; I58-C62 PolarHBondContact O-N 3.35Å; I58-C62 PolarHBondContact O-SG 3.12Å; I58-I287 HydrophobicContact CD1-CB 4.33Å; I58-I287 HydrophobicContact CG1-CB 3.96Å; I58-I287 HydrophobicContact CG1-CG2 3.81Å
59	I	98.2	Very high	95.8	Very high	85 Å²	85	57.4 Å²	57.4	44%	0.436	29%	0.287	S	S	.	.	H	α-helix	trans	-58.6	-50.3	177.9	-68.5	167.5	0	0	0	110.3	I55 R56 A57 I61 C62 L63 V112	I55-I59 HydrophobicContact CG2-CD1 3.89Å; I55-I59 HydrophobicContact CG2-CG1 4.49Å; I55-I59 WeakPolarHBondContact O-CG1 3.43Å; I55-I59 PolarHBondContact O-N 3.05Å; R56-I59 PolarHBondContact O-N 3.3Å; A57-I59 PolarHBondContact O-N 2.89Å; I59-I61 PolarHBondContact O-N 2.88Å; I59-C62 PolarHBondContact O-N 3.31Å; I59-L63 HydrophobicContact CG2-CD1 3.92Å; I59-L63 HydrophobicContact CG2-CG 4.34Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.39Å; I59-L63 PolarHBondContact O-N 3.21Å; I59-V112 HydrophobicContact CG2-CG1 4.25Å
60	G	98.2	Very high	96.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-40	-178.8	0	0	0	0	0	113.3	R56 A57 I58 C62 L63 L64 V108	R56-G60 PolarHBondContact O-N 3.28Å; A57-G60 PolarHBondContact O-N 3.45Å; I58-G60 PolarHBondContact O-N 3.24Å; G60-C62 VanDerWaalsContact C-N 3.34Å; G60-C62 PolarHBondContact O-N 3.27Å; G60-L63 PolarHBondContact O-N 3.38Å; G60-L64 VanDerWaalsContact O-CG 3.28Å; G60-L64 WeakPolarHBondContact O-CG 3.27Å; G60-L64 PolarHBondContact O-N 3.01Å; G60-V108 VanDerWaalsContact CA-CG1 3.48Å
61	I	97.4	Very high	97	Very high	54 Å²	54	50.6 Å²	50.6	28%	0.277	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-45.2	173.7	-68.2	165.6	0	0	0	110.4	A57 I58 I59 L63 L64 L65 F113 I287	A57-I61 WeakPolarHBondContact O-CB 3.34Å; A57-I61 WeakPolarHBondContact O-CG1 3.36Å; A57-I61 PolarHBondContact O-N 3.09Å; I58-I61 PolarHBondContact O-N 3.1Å; I59-I61 PolarHBondContact O-N 2.88Å; I61-L63 PolarHBondContact O-N 3.18Å; I61-L64 PolarHBondContact O-N 3.4Å; I61-L65 HydrophobicContact CG2-CD1 3.86Å; I61-L65 HydrophobicContact CG2-CG 4.35Å; I61-L65 WeakPolarHBondContact O-CB 3.36Å; I61-L65 WeakPolarHBondContact O-CG 3.48Å; I61-L65 PolarHBondContact O-N 3.04Å; I61-F113 HydrophobicContact CG1-CZ 3.98Å; I61-I287 HydrophobicContact CD1-CG2 4.11Å
62	C	97.7	Very high	97.4	Very high	74 Å²	74	42.3 Å²	42.3	50%	0.5	21%	0.213	S	C	.	.	H	α-helix	trans	-61.7	-44.3	176.8	-67.6	0	0	0	0	111.5	I58 I59 G60 L64 F66	I58-C62 WeakPolarHBondContact O-CB 3.3Å; I58-C62 PolarHBondContact O-N 3.35Å; I58-C62 PolarHBondContact O-SG 3.12Å; I59-C62 PolarHBondContact O-N 3.31Å; G60-C62 VanDerWaalsContact C-N 3.34Å; G60-C62 PolarHBondContact O-N 3.27Å; C62-L64 PolarHBondContact O-N 3.09Å; C62-F66 WeakPolarHBondContact O-CB 3.3Å; C62-F66 PolarHBondContact O-N 3.42Å
63	L	98.4	Very high	97.6	Very high	30 Å²	30	37.4 Å²	37.4	16%	0.157	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-45.8	176.6	-72.4	172	0	0	0	111.9	I59 G60 I61 S67 F104 V108 V112 F386 M389	I59-L63 HydrophobicContact CG2-CD1 3.92Å; I59-L63 HydrophobicContact CG2-CG 4.34Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.39Å; I59-L63 PolarHBondContact O-N 3.21Å; G60-L63 PolarHBondContact O-N 3.38Å; I61-L63 PolarHBondContact O-N 3.18Å; L63-S67 WeakPolarHBondContact O-CB 3.5Å; L63-S67 PolarHBondContact O-N 3Å; L63-S67 PolarHBondContact O-OG 3.09Å; L63-F104 HydrophobicContact CB-CE1 4.28Å; L63-F104 HydrophobicContact CB-CZ 4.2Å; L63-V108 HydrophobicContact CB-CG2 4.4Å; L63-V112 HydrophobicContact CD1-CG2 4.35Å; L63-F386 HydrophobicContact CD1-CE1 4.29Å; L63-F386 HydrophobicContact CD1-CZ 4.11Å; L63-F386 HydrophobicContact CD2-CE1 3.7Å; L63-F386 HydrophobicContact CD2-CZ 4.29Å; L63-M389 HydrophobicContact CD2-CE 4.14Å
64	L	97.9	Very high	97.8	Very high	17 Å²	17	36.5 Å²	36.5	9%	0.089	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-50.5	179.2	-70.9	168.1	0	0	0	112	G60 I61 C62 S67 A68 W101 A105 V108 F148	G60-L64 VanDerWaalsContact O-CG 3.28Å; G60-L64 WeakPolarHBondContact O-CG 3.27Å; G60-L64 PolarHBondContact O-N 3.01Å; I61-L64 PolarHBondContact O-N 3.4Å; C62-L64 PolarHBondContact O-N 3.09Å; L64-S67 PolarHBondContact O-OG 3.14Å; L64-A68 VanDerWaalsContact O-CB 3.23Å; L64-A68 WeakPolarHBondContact O-CB 3.34Å; L64-A68 PolarHBondContact O-N 3.21Å; L64-W101 HydrophobicContact CB-CZ2 4.42Å; L64-W101 HydrophobicContact CD2-CH2 4.23Å; L64-W101 HydrophobicContact CD2-CZ2 3.99Å; L64-A105 HydrophobicContact CD2-CB 3.66Å; L64-V108 HydrophobicContact CD1-CB 4.41Å; L64-V108 HydrophobicContact CD1-CG1 3.83Å; L64-V108 HydrophobicContact CD2-CB 4.14Å; L64-V108 HydrophobicContact CD2-CG1 4.4Å; L64-V108 HydrophobicContact CD2-CG2 4.09Å; L64-V108 HydrophobicContact CG-CB 4.2Å; L64-V108 HydrophobicContact CG-CG1 3.94Å; L64-V108 HydrophobicContact CG-CG2 4.18Å; L64-F148 HydrophobicContact CD1-CE2 3.49Å; L64-F148 VanDerWaalsContact CD1-CE2 3.49Å; L64-F148 HydrophobicContact CD1-CZ 3.74Å
65	L	97.2	Very high	98	Very high	89 Å²	89	38.6 Å²	38.6	47%	0.466	19%	0.193	S	C	.	.	H	α-helix	trans	-65.5	-41.8	-179.3	-67.8	178	0	0	0	111.6	I61 Y69 A174	I61-L65 HydrophobicContact CG2-CD1 3.86Å; I61-L65 HydrophobicContact CG2-CG 4.35Å; I61-L65 WeakPolarHBondContact O-CB 3.36Å; I61-L65 WeakPolarHBondContact O-CG 3.48Å; I61-L65 PolarHBondContact O-N 3.04Å; L65-Y69 WeakPolarHBondContact O-CB 3.41Å; L65-Y69 PolarHBondContact O-N 3.29Å; L65-A174 HydrophobicContact CD2-CB 4.48Å
66	F	98.1	Very high	98	Very high	87 Å²	87	34.5 Å²	34.5	38%	0.382	17%	0.172	S	C	.	.	H	α-helix	trans	-69.8	-43.6	-178.7	-167.4	-118.6	0	0	0	112.5	C62 Y69 L70 M389 V393	C62-F66 WeakPolarHBondContact O-CB 3.3Å; C62-F66 PolarHBondContact O-N 3.42Å; F66-Y69 PolarHBondContact O-N 3.11Å; F66-L70 HydrophobicContact CD1-CD1 4.1Å; F66-L70 HydrophobicContact CE1-CD1 3.54Å; F66-L70 HydrophobicContact CE1-CG 4.46Å; F66-L70 HydrophobicContact CE2-CD1 4.21Å; F66-L70 HydrophobicContact CE2-CG 4.38Å; F66-L70 HydrophobicContact CZ-CD1 3.61Å; F66-L70 HydrophobicContact CZ-CG 4.27Å; F66-L70 PolarHBondContact O-N 2.99Å; F66-M389 HydrophobicContact CD1-CB 4.35Å; F66-M389 HydrophobicContact CD1-CG 4.17Å; F66-M389 HydrophobicContact CD1-SD 3.82Å; F66-M389 HydrophobicContact CE1-CB 4.22Å; F66-M389 HydrophobicContact CE1-CG 4.46Å; F66-V393 HydrophobicContact CE1-CG2 3.9Å; F66-V393 HydrophobicContact CZ-CG2 3.47Å; F66-V393 VanDerWaalsContact CZ-CG2 3.47Å
67	S	98.4	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-42.5	174.5	59.5	0	0	0	0	112	L63 L64 Y69 G71 W101	L63-S67 WeakPolarHBondContact O-CB 3.5Å; L63-S67 PolarHBondContact O-N 3Å; L63-S67 PolarHBondContact O-OG 3.09Å; L64-S67 PolarHBondContact O-OG 3.14Å; S67-Y69 VanDerWaalsContact C-N 3.31Å; S67-Y69 PolarHBondContact O-N 3.42Å; S67-G71 WeakPolarHBondContact O-CA 3.46Å; S67-G71 PolarHBondContact O-N 3.01Å; S67-W101 PolarHBondContact OG-NE1 3.17Å
68	A	98.1	Very high	98.1	Very high	3 Å²	3	35 Å²	35	3%	0.025	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-38.3	175.8	0	0	0	0	0	111.7	L64 S72 W101 A174	L64-A68 VanDerWaalsContact O-CB 3.23Å; L64-A68 WeakPolarHBondContact O-CB 3.34Å; L64-A68 PolarHBondContact O-N 3.21Å; A68-S72 VanDerWaalsContact O-CB 3.29Å; A68-S72 WeakPolarHBondContact O-CB 3.41Å; A68-S72 PolarHBondContact O-N 3.43Å; A68-S72 PolarHBondContact O-OG 2.72Å; A68-W101 HydrophobicContact CB-CZ2 3.86Å; A68-A174 HydrophobicContact CB-CB 4.32Å
69	Y	98.3	Very high	98.1	Very high	49 Å²	49	32.5 Å²	32.5	19%	0.192	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-54.6	177.7	-177.8	-101.8	0	0	0	112.5	L65 F66 S67 S72 I73 P172 W176 F406 Q410	L65-Y69 WeakPolarHBondContact O-CB 3.41Å; L65-Y69 PolarHBondContact O-N 3.29Å; F66-Y69 PolarHBondContact O-N 3.11Å; S67-Y69 VanDerWaalsContact C-N 3.31Å; S67-Y69 PolarHBondContact O-N 3.42Å; Y69-S72 PolarHBondContact O-N 3.26Å; Y69-I73 HydrophobicContact CD1-CD1 4.3Å; Y69-I73 HydrophobicContact CE1-CD1 3.85Å; Y69-I73 HydrophobicContact CE2-CD1 4.13Å; Y69-I73 WeakPolarHBondContact O-CG1 3.21Å; Y69-I73 PolarHBondContact O-N 2.96Å; Y69-P172 HydrophobicContact CE2-CB 4.45Å; Y69-W176 HydrophobicContact CD2-CH2 4.46Å; Y69-W176 AromaticContact CD2-CZ3 3.94Å; Y69-W176 HydrophobicContact CD2-CZ3 3.94Å; Y69-W176 AromaticContact CE2-CH2 3.87Å; Y69-W176 HydrophobicContact CE2-CH2 3.87Å; Y69-W176 AromaticContact CE2-CZ3 3.66Å; Y69-W176 HydrophobicContact CE2-CZ3 3.66Å; Y69-F406 AromaticContact CE1-CE2 3.74Å; Y69-F406 HydrophobicContact CE1-CE2 3.74Å; Y69-F406 AromaticContact CE1-CZ 3.75Å; Y69-F406 HydrophobicContact CE1-CZ 3.75Å; Y69-F406 WeakPolarHBondContact OH-CZ 3.37Å; Y69-Q410 PolarHBondContact OH-NE2 2.85Å; Y69-Q410 PolarHBondContact OH-OE1 3.5Å
70	L	98.4	Very high	98	Very high	4 Å²	4	29 Å²	29	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-66.9	-41.7	177.8	-67.3	-179.1	0	0	0	112	F66 S72 I73 F74 M389 L392 V393 I396 F406	F66-L70 HydrophobicContact CD1-CD1 4.1Å; F66-L70 HydrophobicContact CE1-CD1 3.54Å; F66-L70 HydrophobicContact CE1-CG 4.46Å; F66-L70 HydrophobicContact CE2-CD1 4.21Å; F66-L70 HydrophobicContact CE2-CG 4.38Å; F66-L70 HydrophobicContact CZ-CD1 3.61Å; F66-L70 HydrophobicContact CZ-CG 4.27Å; F66-L70 PolarHBondContact O-N 2.99Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 2.78Å; L70-I73 PolarHBondContact O-N 3.41Å; L70-F74 HydrophobicContact CD2-CD2 4.34Å; L70-F74 HydrophobicContact CD2-CE2 4.11Å; L70-F74 WeakPolarHBondContact O-CD2 3.3Å; L70-F74 PolarHBondContact O-N 3.31Å; L70-M389 HydrophobicContact CD1-CB 4.34Å; L70-M389 HydrophobicContact CD1-CG 4.27Å; L70-L392 HydrophobicContact CB-CD1 4.15Å; L70-L392 HydrophobicContact CD1-CB 4.27Å; L70-V393 HydrophobicContact CD1-CG2 4.22Å; L70-I396 HydrophobicContact CD2-CD1 3.95Å; L70-F406 HydrophobicContact CD2-CE2 4.49Å
71	G	98.3	Very high	97.9	Very high	5 Å²	5	32.6 Å²	32.6	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-38.6	178.4	0	0	0	0	0	112.9	S67 I73 F75 M76	S67-G71 WeakPolarHBondContact O-CA 3.46Å; S67-G71 PolarHBondContact O-N 3.01Å; G71-I73 PolarHBondContact O-N 2.81Å; G71-F75 WeakPolarHBondContact O-CA 3.27Å; G71-F75 VanDerWaalsContact O-CB 3.31Å; G71-F75 WeakPolarHBondContact O-CB 3.28Å; G71-F75 PolarHBondContact O-N 2.89Å; G71-M76 PolarHBondContact O-N 2.92Å
72	S	98.3	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-60.7	-46	174.2	-63.7	0	0	0	0	111.9	A68 Y69 L70 A77 G173 A177 F413	A68-S72 VanDerWaalsContact O-CB 3.29Å; A68-S72 WeakPolarHBondContact O-CB 3.41Å; A68-S72 PolarHBondContact O-N 3.43Å; A68-S72 PolarHBondContact O-OG 2.72Å; Y69-S72 PolarHBondContact O-N 3.26Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 2.78Å; S72-A77 PolarHBondContact O-N 3.05Å; S72-G173 PolarHBondContact OG-O 3.17Å; S72-A177 WeakPolarHBondContact OG-CB 3.45Å; S72-A177 PolarHBondContact OG-N 3.21Å; S72-F413 WeakPolarHBondContact O-CE2 3.33Å; S72-F413 WeakPolarHBondContact O-CZ 3.43Å
73	I	98.3	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	I	π-helix	trans	-73.4	-45.4	-175.4	-65.6	169.1	0	0	0	111.7	Y69 L70 G71 A77 W176 Y405 F406 T409 Q410	Y69-I73 HydrophobicContact CD1-CD1 4.3Å; Y69-I73 HydrophobicContact CE1-CD1 3.85Å; Y69-I73 HydrophobicContact CE2-CD1 4.13Å; Y69-I73 WeakPolarHBondContact O-CG1 3.21Å; Y69-I73 PolarHBondContact O-N 2.96Å; L70-I73 PolarHBondContact O-N 3.41Å; G71-I73 PolarHBondContact O-N 2.81Å; I73-A77 VanDerWaalsContact O-CB 3.26Å; I73-A77 WeakPolarHBondContact O-CB 3.46Å; I73-W176 HydrophobicContact CD1-CZ3 4.17Å; I73-W176 HydrophobicContact CG1-CZ3 4.13Å; I73-Y405 HydrophobicContact CG2-CD1 4.47Å; I73-Y405 HydrophobicContact CG2-CE1 3.96Å; I73-Y405 WeakPolarHBondContact O-CE1 3.15Å; I73-Y405 PolarHBondContact O-OH 2.87Å; I73-F406 HydrophobicContact CD1-CD2 3.73Å; I73-F406 HydrophobicContact CD1-CE2 3.45Å; I73-F406 VanDerWaalsContact CD1-CE2 3.45Å; I73-F406 HydrophobicContact CD1-CZ 4.38Å; I73-F406 HydrophobicContact CG2-CD2 4Å; I73-T409 HydrophobicContact CB-CG2 4.24Å; I73-T409 HydrophobicContact CG1-CG2 4.3Å; I73-T409 HydrophobicContact CG2-CG2 3.9Å; I73-Q410 HydrophobicContact CD1-CG 3.77Å; I73-Q410 HydrophobicContact CG1-CG 4.44Å
74	F	98.4	Very high	97.5	Very high	28 Å²	28	30.1 Å²	30.1	12%	0.123	16%	0.162	C	C	.	.	I	π-helix	trans	-98.7	-22.3	-169.2	-70.9	-77.1	0	0	0	114.4	L70 P78 L392 I396 I402 Y405 F406	L70-F74 HydrophobicContact CD2-CD2 4.34Å; L70-F74 HydrophobicContact CD2-CE2 4.11Å; L70-F74 WeakPolarHBondContact O-CD2 3.3Å; L70-F74 PolarHBondContact O-N 3.31Å; F74-P78 WeakPolarHBondContact O-CG 3.5Å; F74-L392 HydrophobicContact CB-CD1 3.91Å; F74-L392 HydrophobicContact CB-CD2 3.93Å; F74-L392 HydrophobicContact CD1-CD2 3.77Å; F74-L392 HydrophobicContact CD2-CB 4.48Å; F74-L392 HydrophobicContact CD2-CD1 3.9Å; F74-L392 HydrophobicContact CD2-CD2 3.94Å; F74-L392 HydrophobicContact CD2-CG 4.33Å; F74-L392 HydrophobicContact CE1-CD2 4.26Å; F74-L392 HydrophobicContact CE2-CD2 4.42Å; F74-L392 HydrophobicContact CG-CD1 4.02Å; F74-L392 HydrophobicContact CG-CD2 3.58Å; F74-L392 HydrophobicContact CG-CG 4.37Å; F74-I396 HydrophobicContact CE2-CD1 3.81Å; F74-I396 HydrophobicContact CE2-CG1 4.17Å; F74-I396 HydrophobicContact CZ-CD1 3.97Å; F74-I396 HydrophobicContact CZ-CG1 3.79Å; F74-I402 HydrophobicContact CE1-CG2 3.83Å; F74-I402 HydrophobicContact CZ-CG2 3.94Å; F74-Y405 HydrophobicContact CD1-CD1 4.21Å; F74-Y405 AromaticContact CD1-CE1 3.9Å; F74-Y405 HydrophobicContact CD1-CE1 3.9Å; F74-Y405 AromaticContact CE1-CD1 3.81Å; F74-Y405 HydrophobicContact CE1-CD1 3.81Å; F74-Y405 AromaticContact CE1-CE1 3.96Å; F74-Y405 HydrophobicContact CE1-CE1 3.96Å; F74-F406 AromaticContact CE2-CD2 3.89Å; F74-F406 HydrophobicContact CE2-CD2 3.89Å; F74-F406 HydrophobicContact CE2-CE2 4.5Å; F74-F406 HydrophobicContact CZ-CB 4.33Å; F74-F406 HydrophobicContact CZ-CD2 4.04Å
75	F	98.4	Very high	97.4	Very high	45 Å²	45	35.9 Å²	35.9	20%	0.197	19%	0.192	C	C	.	.	I	π-helix	trans	-111.1	-43.8	-178.6	-53.4	-33	0	0	0	112.6	G71 L97 F384 W385 L392	G71-F75 WeakPolarHBondContact O-CA 3.27Å; G71-F75 VanDerWaalsContact O-CB 3.31Å; G71-F75 WeakPolarHBondContact O-CB 3.28Å; G71-F75 PolarHBondContact O-N 2.89Å; F75-L97 HydrophobicContact CB-CD1 3.8Å; F75-L97 HydrophobicContact CB-CD2 3.99Å; F75-L97 WeakPolarHBondContact O-CD1 3.25Å; F75-F384 HydrophobicContact CE1-CZ 4.48Å; F75-F384 HydrophobicContact CE2-CE1 4.01Å; F75-F384 AromaticContact CE2-CZ 3.81Å; F75-F384 HydrophobicContact CE2-CZ 3.81Å; F75-F384 HydrophobicContact CZ-CE1 4.39Å; F75-F384 AromaticContact CZ-CZ 3.77Å; F75-F384 HydrophobicContact CZ-CZ 3.77Å; F75-W385 AromaticContact CD2-CH2 3.9Å; F75-W385 HydrophobicContact CD2-CH2 3.9Å; F75-W385 HydrophobicContact CD2-CZ3 4.04Å; F75-W385 HydrophobicContact CE2-CE3 4.42Å; F75-W385 HydrophobicContact CE2-CH2 4.13Å; F75-W385 AromaticContact CE2-CZ3 3.9Å; F75-W385 HydrophobicContact CE2-CZ3 3.9Å; F75-L392 HydrophobicContact CE1-CD1 4.42Å; F75-L392 HydrophobicContact CZ-CD1 4.14Å
76	M	98.2	Very high	97.3	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.049	18%	0.18	C	C	.	.	I	π-helix	trans	-84.5	-38.8	-178.9	-66.9	-173.4	167.6	0	0	113.4	G71 L79 L97 L98 A177 C180	G71-M76 PolarHBondContact O-N 2.92Å; M76-L79 WeakPolarHBondContact O-CB 3.32Å; M76-L79 PolarHBondContact O-N 3.3Å; M76-L97 HydrophobicContact CE-CB 4.24Å; M76-L97 HydrophobicContact CG-CD1 4.08Å; M76-L98 HydrophobicContact CE-CB 4.26Å; M76-A177 HydrophobicContact SD-CB 4.09Å; M76-C180 HydrophobicContact CB-CB 4.2Å; M76-C180 HydrophobicContact CG-CB 4.35Å; M76-C180 HydrophobicContact SD-CB 3.51Å; M76-C180 VanDerWaalsContact SD-CB 3.51Å
77	A	98	Very high	97.1	Very high	7 Å²	7	29.3 Å²	29.3	6%	0.058	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-61.2	-39.4	-178.7	0	0	0	0	0	114.7	S72 I73 L79 L80 T409 F413	S72-A77 PolarHBondContact O-N 3.05Å; I73-A77 VanDerWaalsContact O-CB 3.26Å; I73-A77 WeakPolarHBondContact O-CB 3.46Å; A77-L79 PolarHBondContact O-N 3.29Å; A77-L79 VanDerWaalsContact O-N 3.09Å; A77-L80 HydrophobicContact CB-CD1 4.21Å; A77-L80 VanDerWaalsContact O-CB 3.32Å; A77-L80 WeakPolarHBondContact O-CB 3.42Å; A77-L80 VanDerWaalsContact O-CG 3.26Å; A77-L80 WeakPolarHBondContact O-CG 3.46Å; A77-L80 PolarHBondContact O-N 2.75Å; A77-T409 HydrophobicContact CB-CG2 3.31Å; A77-F413 HydrophobicContact CB-CE2 3.66Å; A77-F413 HydrophobicContact CB-CZ 3.79Å
78	P	97.7	Very high	97	Very high	69 Å²	69	33.1 Å²	33.1	45%	0.448	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-60.1	-19.7	174.3	-24.5	35.1	0	0	0	113.9	F74 P81 Y405	F74-P78 WeakPolarHBondContact O-CG 3.5Å; P78-P81 WeakPolarHBondContact O-CD 3.26Å; P78-Y405 VanDerWaalsContact CD-OH 3.28Å; P78-Y405 WeakPolarHBondContact CD-OH 3.33Å; P78-Y405 WeakPolarHBondContact CG-OH 3.36Å
79	L	97.9	Very high	96.8	Very high	26 Å²	26	36.8 Å²	36.8	14%	0.136	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-83.5	-13	177.4	-53.4	178.9	0	0	0	112.7	M76 A77 P81 L82 F90 F93 L97	M76-L79 WeakPolarHBondContact O-CB 3.32Å; M76-L79 PolarHBondContact O-N 3.3Å; A77-L79 PolarHBondContact O-N 3.29Å; A77-L79 VanDerWaalsContact O-N 3.09Å; L79-P81 VanDerWaalsContact C-CD 3.44Å; L79-P81 VanDerWaalsContact C-N 3.34Å; L79-L82 HydrophobicContact CD2-CD1 3.96Å; L79-L82 WeakPolarHBondContact O-CA 3.37Å; L79-L82 VanDerWaalsContact O-CB 3.23Å; L79-L82 WeakPolarHBondContact O-CB 3.34Å; L79-L82 PolarHBondContact O-N 2.79Å; L79-F90 HydrophobicContact CB-CD2 4.18Å; L79-F90 HydrophobicContact CB-CE2 4.37Å; L79-F90 VanDerWaalsContact O-CD2 3.26Å; L79-F90 WeakPolarHBondContact O-CD2 3.48Å; L79-F93 HydrophobicContact CD1-CB 3.7Å; L79-F93 HydrophobicContact CD2-CB 4.17Å; L79-L97 HydrophobicContact CD1-CD1 3.57Å
80	L	97	Very high	96.7	Very high	11 Å²	11	34.5 Å²	34.5	6%	0.058	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-39.5	-176.9	-68	170.1	0	0	0	114.2	A77 L82 A83 F90 L412 F413 F416 V423 W426	A77-L80 HydrophobicContact CB-CD1 4.21Å; A77-L80 VanDerWaalsContact O-CB 3.32Å; A77-L80 WeakPolarHBondContact O-CB 3.42Å; A77-L80 VanDerWaalsContact O-CG 3.26Å; A77-L80 WeakPolarHBondContact O-CG 3.46Å; A77-L80 PolarHBondContact O-N 2.75Å; L80-L82 PolarHBondContact O-N 2.9Å; L80-A83 VanDerWaalsContact O-CB 3.27Å; L80-A83 WeakPolarHBondContact O-CB 3.34Å; L80-A83 PolarHBondContact O-N 3.43Å; L80-F90 HydrophobicContact CD2-CE2 4.47Å; L80-L412 HydrophobicContact CD1-CD2 3.78Å; L80-F413 HydrophobicContact CD1-CE1 4.35Å; L80-F413 HydrophobicContact CD1-CZ 4.4Å; L80-F416 HydrophobicContact CD1-CE2 4.11Å; L80-V423 HydrophobicContact CD2-CG1 3.62Å; L80-V423 HydrophobicContact CD2-CG2 4.28Å; L80-W426 HydrophobicContact CD2-CZ3 4.37Å
81	P	96	Very high	96.6	Very high	77 Å²	77	34.4 Å²	34.4	50%	0.5	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.3	173.2	-25.1	36.2	0	0	0	113.3	P78 L79 A83 V84 L85	P78-P81 WeakPolarHBondContact O-CD 3.26Å; L79-P81 VanDerWaalsContact C-CD 3.44Å; L79-P81 VanDerWaalsContact C-N 3.34Å; P81-A83 PolarHBondContact O-N 3.43Å; P81-V84 PolarHBondContact O-N 3.35Å; P81-V84 VanDerWaalsContact O-N 3.09Å; P81-L85 WeakPolarHBondContact O-CG 3.36Å; P81-L85 PolarHBondContact O-N 2.91Å; P81-L85 VanDerWaalsContact O-N 3.1Å
82	L	95.9	Very high	96.4	Very high	43 Å²	43	41 Å²	41	23%	0.225	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-27.1	176.2	-60.3	179	0	0	0	112	L79 L80 V84 L85 S86 F90 F93	L79-L82 HydrophobicContact CD2-CD1 3.96Å; L79-L82 WeakPolarHBondContact O-CA 3.37Å; L79-L82 VanDerWaalsContact O-CB 3.23Å; L79-L82 WeakPolarHBondContact O-CB 3.34Å; L79-L82 PolarHBondContact O-N 2.79Å; L80-L82 PolarHBondContact O-N 2.9Å; L82-V84 PolarHBondContact O-N 2.99Å; L82-V84 VanDerWaalsContact O-N 3.15Å; L82-L85 PolarHBondContact O-N 2.79Å; L82-S86 CarbonylContact O-C 3.5Å; L82-S86 WeakPolarHBondContact O-CA 3.28Å; L82-S86 PolarHBondContact O-N 2.89Å; L82-F90 HydrophobicContact CB-CB 3.95Å; L82-F90 HydrophobicContact CB-CD2 4.49Å; L82-F93 HydrophobicContact CD1-CD2 3.97Å; L82-F93 HydrophobicContact CD1-CE2 4.45Å
83	A	94.7	Very high	96.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-26.2	176.6	0	0	0	0	0	112.4	L80 P81 F90 W426 A427 W430	L80-A83 VanDerWaalsContact O-CB 3.27Å; L80-A83 WeakPolarHBondContact O-CB 3.34Å; L80-A83 PolarHBondContact O-N 3.43Å; P81-A83 PolarHBondContact O-N 3.43Å; A83-F90 HydrophobicContact CB-CB 4.32Å; A83-F90 HydrophobicContact CB-CD1 3.92Å; A83-F90 HydrophobicContact CB-CD2 3.76Å; A83-F90 HydrophobicContact CB-CE1 4.15Å; A83-F90 HydrophobicContact CB-CE2 3.98Å; A83-F90 HydrophobicContact CB-CG 3.72Å; A83-F90 HydrophobicContact CB-CZ 4.18Å; A83-W426 HydrophobicContact CB-CE3 4.44Å; A83-W426 HydrophobicContact CB-CH2 3.9Å; A83-W426 HydrophobicContact CB-CZ3 3.51Å; A83-A427 HydrophobicContact CB-CB 4.43Å; A83-W430 VanDerWaalsContact O-CB 3.3Å; A83-W430 WeakPolarHBondContact O-CB 3.43Å
84	V	94.7	Very high	96.3	Very high	62 Å²	62	44.9 Å²	44.9	38%	0.376	24%	0.238	S	C	.	.	H	α-helix	trans	-90.6	-45	175.9	-173.5	0	0	0	0	110.9	P81 L82 W426 W430	P81-V84 PolarHBondContact O-N 3.35Å; P81-V84 VanDerWaalsContact O-N 3.09Å; L82-V84 PolarHBondContact O-N 2.99Å; L82-V84 VanDerWaalsContact O-N 3.15Å; V84-W426 HydrophobicContact CG2-CH2 3.8Å; V84-W426 HydrophobicContact CG2-CZ2 3.77Å; V84-W430 HydrophobicContact CB-CD2 4.39Å; V84-W430 HydrophobicContact CG1-CD2 4.07Å; V84-W430 HydrophobicContact CG1-CE3 3.91Å; V84-W430 HydrophobicContact CG1-CH2 4.27Å; V84-W430 HydrophobicContact CG1-CZ2 4.41Å; V84-W430 HydrophobicContact CG1-CZ3 4.02Å; V84-W430 HydrophobicContact CG2-CD2 4.14Å; V84-W430 HydrophobicContact CG2-CG 4.4Å; V84-W430 HydrophobicContact CG2-CZ2 4.09Å
85	L	95	Very high	96.1	Very high	137 Å²	137	44.4 Å²	44.4	72%	0.717	24%	0.237	S	C	*	.	H	α-helix	trans	-76.5	-39.5	-173.2	-62	173.2	0	0	0	113.2	P81 L82	P81-L85 WeakPolarHBondContact O-CG 3.36Å; P81-L85 PolarHBondContact O-N 2.91Å; P81-L85 VanDerWaalsContact O-N 3.1Å; L82-L85 PolarHBondContact O-N 2.79Å
86	S	95.4	Very high	96	Very high	32 Å²	32	47 Å²	47	22%	0.224	25%	0.252	C	S	.	.			trans	-155.4	90.7	178.8	-179.2	0	0	0	0	110.2	L82 V88 L89 F90	L82-S86 CarbonylContact O-C 3.5Å; L82-S86 WeakPolarHBondContact O-CA 3.28Å; L82-S86 PolarHBondContact O-N 2.89Å; S86-V88 PolarHBondContact O-N 2.88Å; S86-V88 VanDerWaalsContact O-N 3.11Å; S86-L89 PolarHBondContact O-N 2.82Å; S86-L89 VanDerWaalsContact O-N 3.1Å; S86-L89 WeakPolarHBondContact OG-CG 3.35Å; S86-L89 PolarHBondContact OG-N 2.92Å; S86-F90 PolarHBondContact O-N 3.45Å
87	P	94.8	Very high	95.9	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.045	26%	0.258	C	S	.	.	H	α-helix	trans	-54.2	-31.1	178.5	-27.3	34	0	0	0	113.9	R91 Y203 V207 W430 I431	P87-R91 WeakPolarHBondContact O-CB 3.32Å; P87-R91 PolarHBondContact O-N 3.47Å; P87-Y203 HydrophobicContact CB-CE2 4.4Å; P87-V207 HydrophobicContact CB-CG1 3.88Å; P87-W430 HydrophobicContact CG-CB 4.23Å; P87-I431 HydrophobicContact CB-CG1 3.92Å; P87-I431 HydrophobicContact CG-CG1 4.27Å
88	V	94.4	Very high	95.8	Very high	79 Å²	79	48.2 Å²	48.2	48%	0.479	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-52.7	176	179.2	0	0	0	0	110.6	S86 F90 R91 Y92 V207	S86-V88 PolarHBondContact O-N 2.88Å; S86-V88 VanDerWaalsContact O-N 3.11Å; V88-F90 VanDerWaalsContact C-N 3.33Å; V88-F90 PolarHBondContact O-N 2.76Å; V88-R91 PolarHBondContact O-N 3.3Å; V88-Y92 WeakPolarHBondContact O-CB 3.33Å; V88-Y92 PolarHBondContact O-N 3.44Å; V88-V207 HydrophobicContact CG2-CB 4.37Å; V88-V207 HydrophobicContact CG2-CG1 4.01Å
89	L	95.4	Very high	95.7	Very high	81 Å²	81	46 Å²	46	42%	0.424	24%	0.243	S	C	.	.	H	α-helix	trans	-63.9	-38.9	177.7	-67.9	179	0	0	0	111.8	S86 R91 Y92 F93	S86-L89 PolarHBondContact O-N 2.82Å; S86-L89 VanDerWaalsContact O-N 3.1Å; S86-L89 WeakPolarHBondContact OG-CG 3.35Å; S86-L89 PolarHBondContact OG-N 2.92Å; L89-R91 VanDerWaalsContact C-N 3.35Å; L89-R91 PolarHBondContact O-N 3.5Å; L89-Y92 PolarHBondContact O-N 3.34Å; L89-F93 HydrophobicContact CB-CD2 4.39Å; L89-F93 HydrophobicContact CB-CE2 4.35Å; L89-F93 HydrophobicContact CD2-CE2 4.43Å; L89-F93 WeakPolarHBondContact O-CD2 3.26Å; L89-F93 PolarHBondContact O-N 3.06Å
90	F	96.4	Very high	95.7	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-56	-49.1	173.4	173	-103.7	0	0	0	111.9	L79 L80 L82 A83 S86 V88 N94 V423 A427	L79-F90 HydrophobicContact CB-CD2 4.18Å; L79-F90 HydrophobicContact CB-CE2 4.37Å; L79-F90 VanDerWaalsContact O-CD2 3.26Å; L79-F90 WeakPolarHBondContact O-CD2 3.48Å; L80-F90 HydrophobicContact CD2-CE2 4.47Å; L82-F90 HydrophobicContact CB-CB 3.95Å; L82-F90 HydrophobicContact CB-CD2 4.49Å; A83-F90 HydrophobicContact CB-CB 4.32Å; A83-F90 HydrophobicContact CB-CD1 3.92Å; A83-F90 HydrophobicContact CB-CD2 3.76Å; A83-F90 HydrophobicContact CB-CE1 4.15Å; A83-F90 HydrophobicContact CB-CE2 3.98Å; A83-F90 HydrophobicContact CB-CG 3.72Å; A83-F90 HydrophobicContact CB-CZ 4.18Å; S86-F90 PolarHBondContact O-N 3.45Å; V88-F90 VanDerWaalsContact C-N 3.33Å; V88-F90 PolarHBondContact O-N 2.76Å; F90-N94 WeakPolarHBondContact CD2-ND2 3.34Å; F90-N94 WeakPolarHBondContact CE2-ND2 3.4Å; F90-N94 WeakPolarHBondContact CZ-ND2 3.26Å; F90-N94 WeakPolarHBondContact O-CB 3.32Å; F90-N94 PolarHBondContact O-N 3.37Å; F90-N94 PolarHBondContact O-ND2 3Å; F90-V423 HydrophobicContact CZ-CG1 4.28Å; F90-A427 HydrophobicContact CE1-CB 4.08Å
91	R	95.5	Very high	95.8	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-44.1	179.5	-173.2	64.8	-91	139.7	6.5	111.3	P87 V88 L89 N94 D95 C180 S182 V207 K208	P87-R91 WeakPolarHBondContact O-CB 3.32Å; P87-R91 PolarHBondContact O-N 3.47Å; V88-R91 PolarHBondContact O-N 3.3Å; L89-R91 VanDerWaalsContact C-N 3.35Å; L89-R91 PolarHBondContact O-N 3.5Å; R91-N94 VanDerWaalsContact NH2-CB 3.26Å; R91-N94 PolarHBondContact O-N 2.84Å; R91-D95 IonicContact CZ-OD1 2.64Å; R91-D95 VanDerWaalsContact NE-CG 3.26Å; R91-D95 IonicContact NE-OD1 3.45Å; R91-D95 PolarHBondContact NE-OD1 2.69Å; R91-D95 IonicContact NE-OD2 2.67Å; R91-D95 PolarHBondContact NE-OD2 3.19Å; R91-D95 IonicContact NH2-OD1 3.33Å; R91-D95 PolarHBondContact NH2-OD1 3.31Å; R91-D95 WeakPolarHBondContact O-CB 3.23Å; R91-D95 PolarHBondContact O-N 3.05Å; R91-C180 PolarHBondContact NH1-O 3.35Å; R91-C180 PolarHBondContact NH2-O 2.99Å; R91-S182 PolarHBondContact NH1-OG 3.26Å; R91-V207 HydrophobicContact CB-CB 4.29Å; R91-V207 HydrophobicContact CB-CG2 3.99Å; R91-V207 HydrophobicContact CG-CB 4.5Å; R91-V207 HydrophobicContact CG-CG2 3.81Å; R91-K208 HydrophobicContact CG-CD 3.79Å; R91-K208 HydrophobicContact CG-CG 3.6Å
92	Y	94.7	Very high	95.8	Very high	144 Å²	144	43 Å²	43	57%	0.565	22%	0.222	S	C	*	.	H	α-helix	trans	-57.4	-55.8	178.7	178.6	-96.9	0	0	0	111.9	V88 L89 N94 D95 L96	V88-Y92 WeakPolarHBondContact O-CB 3.33Å; V88-Y92 PolarHBondContact O-N 3.44Å; L89-Y92 PolarHBondContact O-N 3.34Å; Y92-N94 PolarHBondContact O-N 3.39Å; Y92-D95 PolarHBondContact O-N 3.09Å; Y92-L96 PolarHBondContact O-N 3.12Å
93	F	97.2	Very high	95.9	Very high	81 Å²	81	41.2 Å²	41.2	36%	0.355	21%	0.213	S	C	.	.	H	α-helix	trans	-67.1	-36.8	-178.4	-72.6	-62.5	0	0	0	112.9	L79 L82 L89 L96 L97	L79-F93 HydrophobicContact CD1-CB 3.7Å; L79-F93 HydrophobicContact CD2-CB 4.17Å; L82-F93 HydrophobicContact CD1-CD2 3.97Å; L82-F93 HydrophobicContact CD1-CE2 4.45Å; L89-F93 HydrophobicContact CB-CD2 4.39Å; L89-F93 HydrophobicContact CB-CE2 4.35Å; L89-F93 HydrophobicContact CD2-CE2 4.43Å; L89-F93 WeakPolarHBondContact O-CD2 3.26Å; L89-F93 PolarHBondContact O-N 3.06Å; F93-L96 PolarHBondContact O-N 3.11Å; F93-L97 WeakPolarHBondContact O-CG 3.48Å; F93-L97 PolarHBondContact O-N 2.93Å
94	N	96.8	Very high	96.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.4	-34.6	175	-81.5	-84.4	0	0	0	112.5	F90 R91 Y92 L98	F90-N94 WeakPolarHBondContact CD2-ND2 3.34Å; F90-N94 WeakPolarHBondContact CE2-ND2 3.4Å; F90-N94 WeakPolarHBondContact CZ-ND2 3.26Å; F90-N94 WeakPolarHBondContact O-CB 3.32Å; F90-N94 PolarHBondContact O-N 3.37Å; F90-N94 PolarHBondContact O-ND2 3Å; R91-N94 VanDerWaalsContact NH2-CB 3.26Å; R91-N94 PolarHBondContact O-N 2.84Å; Y92-N94 PolarHBondContact O-N 3.39Å; N94-L98 WeakPolarHBondContact O-CB 3.5Å; N94-L98 PolarHBondContact O-N 3.26Å
95	D	94.9	Very high	96.2	Very high	18 Å²	18	38.2 Å²	38.2	10%	0.096	19%	0.194	C	C	.	.	H	α-helix	trans	-68.6	-37.9	173.9	-79.2	-13	0	0	0	112.1	R91 Y92 L98 T99 K161 K208	R91-D95 IonicContact CZ-OD1 2.64Å; R91-D95 VanDerWaalsContact NE-CG 3.26Å; R91-D95 IonicContact NE-OD1 3.45Å; R91-D95 PolarHBondContact NE-OD1 2.69Å; R91-D95 IonicContact NE-OD2 2.67Å; R91-D95 PolarHBondContact NE-OD2 3.19Å; R91-D95 IonicContact NH2-OD1 3.33Å; R91-D95 PolarHBondContact NH2-OD1 3.31Å; R91-D95 WeakPolarHBondContact O-CB 3.23Å; R91-D95 PolarHBondContact O-N 3.05Å; Y92-D95 PolarHBondContact O-N 3.09Å; D95-L98 PolarHBondContact O-N 2.78Å; D95-T99 WeakPolarHBondContact O-CB 3.22Å; D95-T99 PolarHBondContact O-N 3.22Å; D95-T99 PolarHBondContact O-OG1 3.11Å; D95-K161 IonicContact OD1-NZ 3.84Å; D95-K161 PolarHBondContact OD1-NZ 3.33Å; D95-K208 VanDerWaalsContact OD2-CD 3.3Å; D95-K208 WeakPolarHBondContact OD2-CD 3.45Å; D95-K208 VanDerWaalsContact OD2-CE 3.27Å; D95-K208 WeakPolarHBondContact OD2-CE 3.42Å; D95-K208 IonicContact OD2-NZ 3.79Å; D95-K208 PolarHBondContact OD2-NZ 3.49Å
96	L	95.2	Very high	96.4	Very high	100 Å²	100	31.9 Å²	31.9	52%	0.524	16%	0.161	S	C	.	.	H	α-helix	trans	-59.5	-50.7	172.3	-171.2	96	0	0	0	111	Y92 F93 L98 T99 S100	Y92-L96 PolarHBondContact O-N 3.12Å; F93-L96 PolarHBondContact O-N 3.11Å; L96-L98 PolarHBondContact O-N 3.38Å; L96-T99 WeakPolarHBondContact O-CB 3.23Å; L96-T99 PolarHBondContact O-N 3.3Å; L96-S100 PolarHBondContact O-N 3.35Å
97	L	97	Very high	96.5	Very high	34 Å²	34	31.5 Å²	31.5	18%	0.178	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-41.8	178.1	-73.3	176.3	0	0	0	112.5	F75 M76 L79 F93 T99 S100 W101	F75-L97 HydrophobicContact CB-CD1 3.8Å; F75-L97 HydrophobicContact CB-CD2 3.99Å; F75-L97 WeakPolarHBondContact O-CD1 3.25Å; M76-L97 HydrophobicContact CE-CB 4.24Å; M76-L97 HydrophobicContact CG-CD1 4.08Å; L79-L97 HydrophobicContact CD1-CD1 3.57Å; F93-L97 WeakPolarHBondContact O-CG 3.48Å; F93-L97 PolarHBondContact O-N 2.93Å; L97-T99 VanDerWaalsContact C-N 3.34Å; L97-S100 WeakPolarHBondContact O-CB 3.33Å; L97-S100 PolarHBondContact O-N 3.1Å; L97-W101 PolarHBondContact O-N 3.14Å
98	L	96	Very high	96.6	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-41.7	176.9	-176.6	66	0	0	0	110.9	M76 N94 D95 L96 S100 W101 L102 F183	M76-L98 HydrophobicContact CE-CB 4.26Å; N94-L98 WeakPolarHBondContact O-CB 3.5Å; N94-L98 PolarHBondContact O-N 3.26Å; D95-L98 PolarHBondContact O-N 2.78Å; L96-L98 PolarHBondContact O-N 3.38Å; L98-S100 PolarHBondContact O-N 3.04Å; L98-W101 PolarHBondContact O-N 3.45Å; L98-L102 HydrophobicContact CD1-CD1 4.42Å; L98-L102 HydrophobicContact CD1-CG 4.43Å; L98-L102 HydrophobicContact CD2-CD1 4.47Å; L98-L102 HydrophobicContact CG-CD1 3.87Å; L98-L102 HydrophobicContact CG-CG 4.35Å; L98-L102 WeakPolarHBondContact O-CB 3.35Å; L98-L102 WeakPolarHBondContact O-CD1 3.43Å; L98-L102 VanDerWaalsContact O-CG 3.22Å; L98-L102 WeakPolarHBondContact O-CG 3.29Å; L98-L102 PolarHBondContact O-N 3.2Å; L98-F183 HydrophobicContact CD2-CE2 3.93Å
99	T	95.6	Very high	96.8	Very high	23 Å²	23	27.4 Å²	27.4	14%	0.141	13%	0.13	C	C	.	.	H	α-helix	trans	-59.4	-47.4	175	-57.4	0	0	0	0	110.7	D95 L96 L97 W101 L102 M103 R159	D95-T99 WeakPolarHBondContact O-CB 3.22Å; D95-T99 PolarHBondContact O-N 3.22Å; D95-T99 PolarHBondContact O-OG1 3.11Å; L96-T99 WeakPolarHBondContact O-CB 3.23Å; L96-T99 PolarHBondContact O-N 3.3Å; L97-T99 VanDerWaalsContact C-N 3.34Å; T99-W101 VanDerWaalsContact C-N 3.31Å; T99-W101 PolarHBondContact O-N 2.84Å; T99-L102 PolarHBondContact O-N 2.84Å; T99-M103 WeakPolarHBondContact O-CG 3.24Å; T99-M103 PolarHBondContact O-N 3.49Å; T99-R159 HydrophobicContact CG2-CG 4.37Å; T99-R159 WeakPolarHBondContact OG1-CD 3.47Å
100	S	97.4	Very high	96.9	Very high	19 Å²	19	24.2 Å²	24.2	13%	0.133	12%	0.115	C	C	.	.	H	α-helix	trans	-58.2	-41.8	175.1	172.2	0	0	0	0	112.2	L96 L97 L98 F104 N381 W385	L96-S100 PolarHBondContact O-N 3.35Å; L97-S100 WeakPolarHBondContact O-CB 3.33Å; L97-S100 PolarHBondContact O-N 3.1Å; L98-S100 PolarHBondContact O-N 3.04Å; S100-F104 PolarHBondContact O-N 3.45Å; S100-N381 WeakPolarHBondContact CA-OD1 2.78Å; S100-N381 WeakPolarHBondContact CB-OD1 3.22Å; S100-N381 PolarHBondContact O-ND2 3.09Å; S100-N381 PolarHBondContact O-OD1 3.05Å; S100-N381 PolarHBondContact OG-OD1 2.86Å; S100-W385 PolarHBondContact O-NE1 3.48Å; S100-W385 PolarHBondContact OG-NE1 3.37Å
101	W	98	Very high	96.9	Very high	30 Å²	30	27.5 Å²	27.5	11%	0.114	13%	0.129	C	C	.	.	H	α-helix	trans	-70.3	-37.4	177.6	-172.2	82.6	0	0	0	112.7	L64 S67 A68 L97 L98 T99 M103 F104 A105 W151 W385	L64-W101 HydrophobicContact CB-CZ2 4.42Å; L64-W101 HydrophobicContact CD2-CH2 4.23Å; L64-W101 HydrophobicContact CD2-CZ2 3.99Å; S67-W101 PolarHBondContact OG-NE1 3.17Å; A68-W101 HydrophobicContact CB-CZ2 3.86Å; L97-W101 PolarHBondContact O-N 3.14Å; L98-W101 PolarHBondContact O-N 3.45Å; T99-W101 VanDerWaalsContact C-N 3.31Å; T99-W101 PolarHBondContact O-N 2.84Å; W101-M103 VanDerWaalsContact C-N 3.35Å; W101-F104 CarbonylContact O-C 3.59Å; W101-F104 WeakPolarHBondContact O-CA 3.15Å; W101-F104 WeakPolarHBondContact O-CB 3.48Å; W101-F104 PolarHBondContact O-N 2.92Å; W101-F104 VanDerWaalsContact O-N 3.08Å; W101-A105 HydrophobicContact CE3-CB 4.49Å; W101-A105 HydrophobicContact CH2-CB 4.38Å; W101-A105 HydrophobicContact CZ3-CB 4.17Å; W101-A105 PolarHBondContact O-N 3.35Å; W101-W151 AromaticContact CH2-CH2 3.96Å; W101-W151 HydrophobicContact CH2-CH2 3.96Å; W101-W151 AromaticContact CH2-CZ3 3.77Å; W101-W151 HydrophobicContact CH2-CZ3 3.77Å; W101-W151 HydrophobicContact CZ3-CE3 4.42Å; W101-W151 AromaticContact CZ3-CH2 3.57Å; W101-W151 HydrophobicContact CZ3-CH2 3.57Å; W101-W151 HydrophobicContact CZ3-CZ2 4.49Å; W101-W151 AromaticContact CZ3-CZ3 3.56Å; W101-W151 HydrophobicContact CZ3-CZ3 3.56Å; W101-W385 HydrophobicContact CB-CH2 3.96Å; W101-W385 HydrophobicContact CB-CZ2 3.52Å; W101-W385 AromaticContact CD1-CH2 3.57Å; W101-W385 AromaticContact CD1-CZ2 3.78Å; W101-W385 AromaticContact CD1-CZ3 3.79Å; W101-W385 HydrophobicContact CG-CH2 4.14Å; W101-W385 HydrophobicContact CG-CZ2 4.07Å
102	L	97.3	Very high	97	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-37.1	176.3	-72	163.3	0	0	0	112.1	L98 T99 F104 A105 E106 W151 Q158	L98-L102 HydrophobicContact CD1-CD1 4.42Å; L98-L102 HydrophobicContact CD1-CG 4.43Å; L98-L102 HydrophobicContact CD2-CD1 4.47Å; L98-L102 HydrophobicContact CG-CD1 3.87Å; L98-L102 HydrophobicContact CG-CG 4.35Å; L98-L102 WeakPolarHBondContact O-CB 3.35Å; L98-L102 WeakPolarHBondContact O-CD1 3.43Å; L98-L102 VanDerWaalsContact O-CG 3.22Å; L98-L102 WeakPolarHBondContact O-CG 3.29Å; L98-L102 PolarHBondContact O-N 3.2Å; T99-L102 PolarHBondContact O-N 2.84Å; L102-F104 VanDerWaalsContact C-N 3.28Å; L102-F104 PolarHBondContact O-N 2.78Å; L102-A105 CarbonylContact O-C 3.58Å; L102-A105 WeakPolarHBondContact O-CA 3.31Å; L102-A105 WeakPolarHBondContact O-CB 3.41Å; L102-A105 PolarHBondContact O-N 3.19Å; L102-A105 VanDerWaalsContact O-N 3.07Å; L102-E106 PolarHBondContact O-N 2.87Å; L102-W151 HydrophobicContact CD2-CD2 3.6Å; L102-W151 VanDerWaalsContact CD2-CE2 3.49Å; L102-W151 HydrophobicContact CD2-CE3 4.11Å; L102-W151 HydrophobicContact CD2-CG 3.85Å; L102-W151 HydrophobicContact CD2-CH2 4.31Å; L102-W151 HydrophobicContact CD2-CZ2 3.88Å; L102-W151 HydrophobicContact CD2-CZ3 4.44Å; L102-Q158 HydrophobicContact CB-CB 4.46Å; L102-Q158 HydrophobicContact CB-CG 4.38Å; L102-Q158 HydrophobicContact CD1-CG 4.47Å; L102-Q158 WeakPolarHBondContact CD1-O 3.41Å
103	M	97.9	Very high	97	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.034	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-39.2	168.8	-73.5	-178.5	72.8	0	0	112	T99 W101 A105 F107 L362 V363 L377 N381	T99-M103 WeakPolarHBondContact O-CG 3.24Å; T99-M103 PolarHBondContact O-N 3.49Å; W101-M103 VanDerWaalsContact C-N 3.35Å; M103-A105 VanDerWaalsContact C-N 3.34Å; M103-F107 PolarHBondContact O-N 2.84Å; M103-F107 VanDerWaalsContact O-N 3.08Å; M103-L362 HydrophobicContact CE-CB 3.67Å; M103-L362 WeakPolarHBondContact CE-O 3.4Å; M103-L362 HydrophobicContact CG-CB 4.4Å; M103-L362 HydrophobicContact SD-CB 4.05Å; M103-L362 HydrophobicContact SD-CD1 4.31Å; M103-V363 HydrophobicContact CB-CG2 3.52Å; M103-V363 HydrophobicContact CE-CG2 3.72Å; M103-V363 HydrophobicContact CG-CG2 3.74Å; M103-V363 WeakPolarHBondContact O-CG2 3.21Å; M103-L377 HydrophobicContact CE-CD2 3.97Å; M103-L377 HydrophobicContact CE-CG 3.82Å; M103-L377 HydrophobicContact SD-CD2 4.46Å; M103-N381 VanDerWaalsContact CB-ND2 3.33Å; M103-N381 WeakPolarHBondContact CB-ND2 3.43Å; M103-N381 HydrophobicContact CE-CB 4.2Å
104	F	98.3	Very high	96.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.6	-36.4	173.1	-178.1	-107.2	0	0	0	111.9	L63 S100 W101 L102 F107 V108 T382 W385 F386 M389	L63-F104 HydrophobicContact CB-CE1 4.28Å; L63-F104 HydrophobicContact CB-CZ 4.2Å; S100-F104 PolarHBondContact O-N 3.45Å; W101-F104 CarbonylContact O-C 3.59Å; W101-F104 WeakPolarHBondContact O-CA 3.15Å; W101-F104 WeakPolarHBondContact O-CB 3.48Å; W101-F104 PolarHBondContact O-N 2.92Å; W101-F104 VanDerWaalsContact O-N 3.08Å; L102-F104 VanDerWaalsContact C-N 3.28Å; L102-F104 PolarHBondContact O-N 2.78Å; F104-F107 AromaticContact CD2-CD1 3.95Å; F104-F107 HydrophobicContact CD2-CD1 3.95Å; F104-F107 AromaticContact CE2-CD1 3.84Å; F104-F107 HydrophobicContact CE2-CD1 3.84Å; F104-F107 HydrophobicContact CE2-CE1 4.03Å; F104-F107 WeakPolarHBondContact O-CB 3.41Å; F104-F107 PolarHBondContact O-N 3.37Å; F104-V108 HydrophobicContact CE1-CG2 4.15Å; F104-V108 HydrophobicContact CZ-CG2 4.3Å; F104-V108 WeakPolarHBondContact O-CG2 3.35Å; F104-V108 PolarHBondContact O-N 3.48Å; F104-T382 HydrophobicContact CD2-CG2 4.4Å; F104-T382 HydrophobicContact CE2-CG2 4.46Å; F104-W385 HydrophobicContact CB-CB 4.46Å; F104-W385 HydrophobicContact CB-CG 3.94Å; F104-W385 HydrophobicContact CD1-CB 4.44Å; F104-W385 HydrophobicContact CD1-CG 4.43Å; F104-W385 HydrophobicContact CD2-CB 3.63Å; F104-W385 HydrophobicContact CD2-CG 4.04Å; F104-W385 HydrophobicContact CE2-CB 3.9Å; F104-W385 HydrophobicContact CG-CB 3.93Å; F104-W385 AromaticContact CG-CD1 3.99Å; F104-W385 AromaticContact CG-CG 3.88Å; F104-W385 HydrophobicContact CG-CG 3.88Å; F104-W385 HydrophobicContact CZ-CB 4.42Å; F104-F386 HydrophobicContact CE2-CD2 4.14Å; F104-F386 AromaticContact CE2-CE2 3.83Å; F104-F386 HydrophobicContact CE2-CE2 3.83Å; F104-F386 HydrophobicContact CE2-CZ 4.22Å; F104-F386 HydrophobicContact CZ-CE2 4.47Å; F104-F386 HydrophobicContact CZ-CZ 4.43Å; F104-M389 HydrophobicContact CE1-CE 4.42Å; F104-M389 HydrophobicContact CE2-CE 4.48Å; F104-M389 HydrophobicContact CZ-CE 3.84Å
105	A	97.6	Very high	96.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.1	-41	175.5	0	0	0	0	0	112.6	L64 W101 L102 M103 F107 V108 I109 W151	L64-A105 HydrophobicContact CD2-CB 3.66Å; W101-A105 HydrophobicContact CE3-CB 4.49Å; W101-A105 HydrophobicContact CH2-CB 4.38Å; W101-A105 HydrophobicContact CZ3-CB 4.17Å; W101-A105 PolarHBondContact O-N 3.35Å; L102-A105 CarbonylContact O-C 3.58Å; L102-A105 WeakPolarHBondContact O-CA 3.31Å; L102-A105 WeakPolarHBondContact O-CB 3.41Å; L102-A105 PolarHBondContact O-N 3.19Å; L102-A105 VanDerWaalsContact O-N 3.07Å; M103-A105 VanDerWaalsContact C-N 3.34Å; A105-F107 VanDerWaalsContact C-N 3.33Å; A105-F107 PolarHBondContact O-N 3.49Å; A105-V108 WeakPolarHBondContact O-CB 3.03Å; A105-V108 PolarHBondContact O-N 2.97Å; A105-V108 VanDerWaalsContact O-N 3.1Å; A105-I109 WeakPolarHBondContact O-CG1 3.5Å; A105-I109 PolarHBondContact O-N 3.4Å; A105-W151 HydrophobicContact CB-CE3 3.83Å; A105-W151 HydrophobicContact CB-CZ3 4.15Å
106	E	97.8	Very high	96.9	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.019	11%	0.108	C	C	.	.	H	α-helix	trans	-58.8	-43.8	171.4	177.5	179	-176.1	0	0	111.3	L102 V108 I109 C110 S361 V363 F364	L102-E106 PolarHBondContact O-N 2.87Å; E106-V108 VanDerWaalsContact C-N 3.3Å; E106-V108 PolarHBondContact O-N 3.43Å; E106-I109 PolarHBondContact O-N 3.2Å; E106-C110 WeakPolarHBondContact O-CB 3.24Å; E106-C110 PolarHBondContact O-N 2.92Å; E106-S361 WeakPolarHBondContact OE1-CB 3.4Å; E106-S361 PolarHBondContact OE1-OG 2.79Å; E106-S361 PolarHBondContact OE2-OG 3.19Å; E106-V363 HydrophobicContact CB-CG2 4.27Å; E106-V363 HydrophobicContact CG-CB 4.44Å; E106-V363 HydrophobicContact CG-CG2 4.35Å; E106-V363 WeakPolarHBondContact OE2-CG2 3.11Å; E106-F364 HydrophobicContact CG-CD2 4.17Å; E106-F364 HydrophobicContact CG-CE2 4.12Å
107	F	98	Very high	96.9	Very high	23 Å²	23	16.4 Å²	16.4	10%	0.101	9%	0.086	C	C	.	.	H	α-helix	trans	-55.8	-45.1	171.8	156	-99.9	0	0	0	112.2	M103 F104 A105 I109 K111 V112 V363 F364 F374 T382 F386	M103-F107 PolarHBondContact O-N 2.84Å; M103-F107 VanDerWaalsContact O-N 3.08Å; F104-F107 AromaticContact CD2-CD1 3.95Å; F104-F107 HydrophobicContact CD2-CD1 3.95Å; F104-F107 AromaticContact CE2-CD1 3.84Å; F104-F107 HydrophobicContact CE2-CD1 3.84Å; F104-F107 HydrophobicContact CE2-CE1 4.03Å; F104-F107 WeakPolarHBondContact O-CB 3.41Å; F104-F107 PolarHBondContact O-N 3.37Å; A105-F107 VanDerWaalsContact C-N 3.33Å; A105-F107 PolarHBondContact O-N 3.49Å; F107-I109 PolarHBondContact O-N 3.44Å; F107-K111 HydrophobicContact CD2-CB 3.73Å; F107-K111 HydrophobicContact CD2-CG 3.99Å; F107-K111 HydrophobicContact CE2-CB 3.67Å; F107-K111 HydrophobicContact CE2-CG 4.21Å; F107-K111 WeakPolarHBondContact O-CA 3.49Å; F107-K111 WeakPolarHBondContact O-CB 3.46Å; F107-K111 PolarHBondContact O-N 3.48Å; F107-V112 HydrophobicContact CD1-CG2 4.43Å; F107-V112 HydrophobicContact CE1-CG2 3.69Å; F107-V112 HydrophobicContact CE2-CG2 4.4Å; F107-V112 HydrophobicContact CZ-CG2 3.69Å; F107-V112 PolarHBondContact O-N 3.47Å; F107-V363 HydrophobicContact CB-CG1 4.39Å; F107-F364 HydrophobicContact CB-CZ 4.15Å; F107-F364 HydrophobicContact CD2-CZ 4.22Å; F107-F374 AromaticContact CD2-CE1 3.95Å; F107-F374 HydrophobicContact CD2-CE1 3.95Å; F107-F374 AromaticContact CD2-CZ 3.51Å; F107-F374 HydrophobicContact CD2-CZ 3.51Å; F107-F374 AromaticContact CE2-CZ 3.82Å; F107-F374 HydrophobicContact CE2-CZ 3.82Å; F107-T382 HydrophobicContact CD1-CG2 3.74Å; F107-T382 HydrophobicContact CD2-CG2 3.92Å; F107-T382 HydrophobicContact CE1-CG2 3.87Å; F107-T382 HydrophobicContact CE2-CG2 4.03Å; F107-T382 HydrophobicContact CG-CG2 3.76Å; F107-T382 HydrophobicContact CZ-CG2 4.01Å; F107-F386 AromaticContact CE1-CE2 3.6Å; F107-F386 HydrophobicContact CE1-CE2 3.6Å; F107-F386 AromaticContact CE1-CZ 3.84Å; F107-F386 HydrophobicContact CE1-CZ 3.84Å; F107-F386 AromaticContact CZ-CE2 3.89Å; F107-F386 HydrophobicContact CZ-CE2 3.89Å; F107-F386 HydrophobicContact CZ-CZ 4.17Å
108	V	98.3	Very high	96.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-62.3	-43.7	177.6	173.2	0	0	0	0	111.3	G60 L63 L64 F104 A105 E106 V112 F113	G60-V108 VanDerWaalsContact CA-CG1 3.48Å; L63-V108 HydrophobicContact CB-CG2 4.4Å; L64-V108 HydrophobicContact CD1-CB 4.41Å; L64-V108 HydrophobicContact CD1-CG1 3.83Å; L64-V108 HydrophobicContact CD2-CB 4.14Å; L64-V108 HydrophobicContact CD2-CG1 4.4Å; L64-V108 HydrophobicContact CD2-CG2 4.09Å; L64-V108 HydrophobicContact CG-CB 4.2Å; L64-V108 HydrophobicContact CG-CG1 3.94Å; L64-V108 HydrophobicContact CG-CG2 4.18Å; F104-V108 HydrophobicContact CE1-CG2 4.15Å; F104-V108 HydrophobicContact CZ-CG2 4.3Å; F104-V108 WeakPolarHBondContact O-CG2 3.35Å; F104-V108 PolarHBondContact O-N 3.48Å; A105-V108 WeakPolarHBondContact O-CB 3.03Å; A105-V108 PolarHBondContact O-N 2.97Å; A105-V108 VanDerWaalsContact O-N 3.1Å; E106-V108 VanDerWaalsContact C-N 3.3Å; E106-V108 PolarHBondContact O-N 3.43Å; V108-V112 HydrophobicContact CB-CB 4.5Å; V108-V112 HydrophobicContact CG1-CB 4.15Å; V108-V112 HydrophobicContact CG2-CG2 4.37Å; V108-V112 CarbonylContact O-C 3.6Å; V108-V112 WeakPolarHBondContact O-CA 3.17Å; V108-V112 VanDerWaalsContact O-CB 3.28Å; V108-V112 WeakPolarHBondContact O-CB 3.4Å; V108-V112 PolarHBondContact O-N 3.24Å; V108-V112 VanDerWaalsContact O-N 3.12Å; V108-F113 HydrophobicContact CG1-CD1 4.17Å; V108-F113 HydrophobicContact CG1-CE1 3.98Å; V108-F113 PolarHBondContact O-N 2.93Å
109	I	97.6	Very high	96.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.	I	π-helix	trans	-62.9	-54.3	178	-66.6	162.9	0	0	0	110.8	A105 E106 F107 F113 G114 C115 I117 F148 F149 W151	A105-I109 WeakPolarHBondContact O-CG1 3.5Å; A105-I109 PolarHBondContact O-N 3.4Å; E106-I109 PolarHBondContact O-N 3.2Å; F107-I109 PolarHBondContact O-N 3.44Å; I109-F113 WeakPolarHBondContact O-CB 3.24Å; I109-G114 PolarHBondContact O-N 2.91Å; I109-C115 HydrophobicContact CG2-CB 4.2Å; I109-C115 PolarHBondContact O-N 2.91Å; I109-C115 VanDerWaalsContact O-N 3.12Å; I109-I117 HydrophobicContact CG2-CD1 4Å; I109-I117 HydrophobicContact CG2-CG1 4.04Å; I109-F148 HydrophobicContact CD1-CD1 4.45Å; I109-F148 HydrophobicContact CD1-CD2 4.36Å; I109-F148 HydrophobicContact CD1-CE1 4.04Å; I109-F148 HydrophobicContact CD1-CE2 3.93Å; I109-F148 HydrophobicContact CD1-CZ 3.77Å; I109-F148 WeakPolarHBondContact CD1-O 3.29Å; I109-F148 HydrophobicContact CG1-CD1 4.44Å; I109-F148 HydrophobicContact CG1-CE1 3.59Å; I109-F148 HydrophobicContact CG1-CE2 3.91Å; I109-F148 HydrophobicContact CG1-CZ 3.28Å; I109-F149 HydrophobicContact CG2-CD1 4.02Å; I109-F149 HydrophobicContact CG2-CE1 4.39Å; I109-W151 HydrophobicContact CD1-CB 4.24Å
110	C	96.7	Very high	97	Very high	14 Å²	14	15.4 Å²	15.4	10%	0.095	8%	0.076	C	C	.	.	I	π-helix	trans	-78.8	-40.2	-169.2	-64.4	0	0	0	0	112.8	E106 G114 C115 F364 I372	E106-C110 WeakPolarHBondContact O-CB 3.24Å; E106-C110 PolarHBondContact O-N 2.92Å; C110-G114 WeakPolarHBondContact O-CA 3.49Å; C110-C115 WeakPolarHBondContact CA-O 3.2Å; C110-F364 HydrophobicContact CB-CD2 4.12Å; C110-F364 HydrophobicContact CB-CE2 3.68Å; C110-F364 HydrophobicContact CB-CZ 4.36Å; C110-I372 HydrophobicContact CB-CD1 3.86Å
111	K	96.6	Very high	97	Very high	70 Å²	70	15 Å²	15	30%	0.304	8%	0.076	S	C	.	.	I	π-helix	trans	-100.7	-44.9	-176.3	-68.7	-71.8	-174.5	178.4	0	113.1	R56 F107 F364 I372 F374	R56-K111 PolarHBondContact NH2-O 2.97Å; F107-K111 HydrophobicContact CD2-CB 3.73Å; F107-K111 HydrophobicContact CD2-CG 3.99Å; F107-K111 HydrophobicContact CE2-CB 3.67Å; F107-K111 HydrophobicContact CE2-CG 4.21Å; F107-K111 WeakPolarHBondContact O-CA 3.49Å; F107-K111 WeakPolarHBondContact O-CB 3.46Å; F107-K111 PolarHBondContact O-N 3.48Å; K111-F364 HydrophobicContact CD-CE1 4.32Å; K111-F364 HydrophobicContact CG-CE1 3.69Å; K111-F364 HydrophobicContact CG-CE2 4.49Å; K111-F364 HydrophobicContact CG-CZ 3.48Å; K111-F364 VanDerWaalsContact CG-CZ 3.48Å; K111-I372 HydrophobicContact CD-CD1 3.84Å; K111-I372 HydrophobicContact CD-CG1 4.45Å; K111-I372 WeakPolarHBondContact CE-O 3.48Å; K111-I372 HydrophobicContact CG-CD1 4.29Å; K111-I372 PolarHBondContact NZ-O 3.03Å; K111-F374 HydrophobicContact CG-CZ 4.47Å
112	V	97.5	Very high	96.8	Very high	20 Å²	20	15.9 Å²	15.9	12%	0.121	8%	0.083	C	C	.	.	I	π-helix	trans	-76.4	-52.8	-176.9	-176.5	0	0	0	0	110.5	R56 I59 L63 F107 V108 G114	R56-V112 WeakPolarHBondContact CB-O 3.24Å; R56-V112 VanDerWaalsContact CZ-O 3.24Å; R56-V112 PolarHBondContact NE-O 3.4Å; R56-V112 PolarHBondContact NH2-O 3.03Å; R56-V112 VanDerWaalsContact NH2-O 3.11Å; R56-V112 WeakPolarHBondContact O-CG1 3.37Å; I59-V112 HydrophobicContact CG2-CG1 4.25Å; L63-V112 HydrophobicContact CD1-CG2 4.35Å; F107-V112 HydrophobicContact CD1-CG2 4.43Å; F107-V112 HydrophobicContact CE1-CG2 3.69Å; F107-V112 HydrophobicContact CE2-CG2 4.4Å; F107-V112 HydrophobicContact CZ-CG2 3.69Å; F107-V112 PolarHBondContact O-N 3.47Å; V108-V112 HydrophobicContact CB-CB 4.5Å; V108-V112 HydrophobicContact CG1-CB 4.15Å; V108-V112 HydrophobicContact CG2-CG2 4.37Å; V108-V112 CarbonylContact O-C 3.6Å; V108-V112 WeakPolarHBondContact O-CA 3.17Å; V108-V112 VanDerWaalsContact O-CB 3.28Å; V108-V112 WeakPolarHBondContact O-CB 3.4Å; V108-V112 PolarHBondContact O-N 3.24Å; V108-V112 VanDerWaalsContact O-N 3.12Å; V112-G114 VanDerWaalsContact C-N 3.33Å
113	F	96.4	Very high	96.6	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	10%	0.1	C	C	.	.	I	π-helix	trans	-71.9	-31.5	175.9	-74	13.4	0	0	0	111.5	Y53 A57 I61 V108 I109 C115 F148 F149 L286 V291	Y53-F113 WeakPolarHBondContact CD1-O 3.31Å; A57-F113 HydrophobicContact CB-CE1 4.31Å; A57-F113 WeakPolarHBondContact O-CE1 3.27Å; I61-F113 HydrophobicContact CG1-CZ 3.98Å; V108-F113 HydrophobicContact CG1-CD1 4.17Å; V108-F113 HydrophobicContact CG1-CE1 3.98Å; V108-F113 PolarHBondContact O-N 2.93Å; I109-F113 WeakPolarHBondContact O-CB 3.24Å; F113-C115 HydrophobicContact CB-CB 4.45Å; F113-F148 HydrophobicContact CD2-CE1 4.19Å; F113-F148 AromaticContact CE2-CE1 3.63Å; F113-F148 HydrophobicContact CE2-CE1 3.63Å; F113-F148 AromaticContact CE2-CZ 3.93Å; F113-F148 HydrophobicContact CE2-CZ 3.93Å; F113-F148 HydrophobicContact CZ-CE1 4.44Å; F113-F148 HydrophobicContact CZ-CZ 4.36Å; F113-F149 HydrophobicContact CD2-CE1 4.44Å; F113-L286 HydrophobicContact CE2-CD1 4.2Å; F113-V291 HydrophobicContact CB-CG1 3.93Å; F113-V291 HydrophobicContact CD2-CG1 4.34Å; F113-V291 HydrophobicContact CG-CG1 4.39Å
114	G	94.6	Very high	96.2	Very high	23 Å²	23	20.3 Å²	20.3	24%	0.237	10%	0.099	C	C	.	.			trans	75.8	29.8	-175.7	0	0	0	0	0	112.4	R56 I109 C110 V112	R56-G114 VanDerWaalsContact NH2-CA 3.28Å; I109-G114 PolarHBondContact O-N 2.91Å; C110-G114 WeakPolarHBondContact O-CA 3.49Å; V112-G114 VanDerWaalsContact C-N 3.33Å
115	C	95.6	Very high	95.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-95.1	121	176.8	174.7	0	0	0	0	109.1	I109 C110 F113 F149 P292 H293	I109-C115 HydrophobicContact CG2-CB 4.2Å; I109-C115 PolarHBondContact O-N 2.91Å; I109-C115 VanDerWaalsContact O-N 3.12Å; C110-C115 WeakPolarHBondContact CA-O 3.2Å; F113-C115 HydrophobicContact CB-CB 4.45Å; C115-F149 HydrophobicContact CB-CE1 4.21Å; C115-P292 VanDerWaalsContact CB-O 3.31Å; C115-P292 WeakPolarHBondContact CB-O 3.45Å; C115-P292 PolarHBondContact SG-O 2.7Å; C115-H293 CarbonylContact C-O 3.58Å; C115-H293 WeakPolarHBondContact CA-O 3.37Å
116	R	95.5	Very high	94.6	Very high	56 Å²	56	25.9 Å²	25.9	21%	0.211	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.5	178	-175.9	175.4	-179	154.7	-1	110.6	R118 H293 E294 V295 D370	R116-R118 HydrophobicContact CG-CG 4.17Å; R116-H293 PolarHBondContact N-O 3.19Å; R116-E294 HydrophobicContact CB-CG 4.2Å; R116-E294 CarbonylContact O-C 3.59Å; R116-E294 WeakPolarHBondContact O-CA 3.4Å; R116-V295 PolarHBondContact O-N 3.11Å; R116-D370 IonicContact CZ-OD1 3.53Å; R116-D370 IonicContact CZ-OD2 3.24Å; R116-D370 VanDerWaalsContact CZ-OD2 3.24Å; R116-D370 PolarHBondContact NH1-O 3.32Å; R116-D370 IonicContact NH1-OD1 2.8Å; R116-D370 IonicContact NH1-OD2 3.64Å; R116-D370 PolarHBondContact NH1-OD2 3.28Å; R116-D370 IonicContact NH2-OD1 2.65Å; R116-D370 PolarHBondContact NH2-OD1 3.16Å; R116-D370 IonicContact NH2-OD2 3.12Å; R116-D370 PolarHBondContact NH2-OD2 3.1Å; R116-D370 VanDerWaalsContact NH2-OD2 3.12Å
117	I	96.2	Very high	93.1	Very high	11 Å²	11	27.4 Å²	27.4	6%	0.056	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.1	174.9	-52	-54.5	0	0	0	108.9	I109 F149 G152 L153 V295 Y297	I109-I117 HydrophobicContact CG2-CD1 4Å; I109-I117 HydrophobicContact CG2-CG1 4.04Å; I117-F149 HydrophobicContact CD1-CB 4.43Å; I117-F149 HydrophobicContact CD1-CD1 4.24Å; I117-G152 WeakPolarHBondContact CB-O 3.49Å; I117-L153 HydrophobicContact CG2-CD2 3.75Å; I117-L153 HydrophobicContact CG2-CG 3.99Å; I117-V295 HydrophobicContact CD1-CB 3.79Å; I117-V295 HydrophobicContact CD1-CG2 4.11Å; I117-Y297 HydrophobicContact CG2-CD2 3.75Å; I117-Y297 HydrophobicContact CG2-CE2 3.77Å
118	R	95.9	Very high	91.2	Very high	44 Å²	44	29.7 Å²	29.7	17%	0.166	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.6	-178.8	-56.7	-171.3	83	166.3	3.3	110	R116 F120 E294 V295 H296 Y297 E356	R116-R118 HydrophobicContact CG-CG 4.17Å; R118-F120 HydrophobicContact CB-CD2 4.4Å; R118-F120 HydrophobicContact CB-CE2 3.51Å; R118-F120 HydrophobicContact CB-CZ 3.97Å; R118-E294 WeakPolarHBondContact CD-OE2 3.29Å; R118-E294 IonicContact NH1-OE1 2.69Å; R118-E294 IonicContact NH1-OE2 3.66Å; R118-V295 PolarHBondContact N-O 2.89Å; R118-H296 WeakPolarHBondContact CD-NE2 3.2Å; R118-Y297 PolarHBondContact O-N 2.85Å; R118-E356 IonicContact CZ-OE1 3.29Å; R118-E356 IonicContact CZ-OE2 3.07Å; R118-E356 IonicContact NE-OE1 3.58Å; R118-E356 PolarHBondContact NE-OE1 2.77Å; R118-E356 IonicContact NE-OE2 3.96Å; R118-E356 IonicContact NH2-OE1 2.61Å; R118-E356 PolarHBondContact NH2-OE1 3.24Å; R118-E356 IonicContact NH2-OE2 3.39Å; R118-E356 PolarHBondContact NH2-OE2 3.14Å
119	H	96.1	Very high	89.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.9	-176.7	-175.3	-176.8	0	0	0	109.1	D122 L153 Y297 V299 E356 I357 P359	H119-D122 PolarHBondContact CE1-O 2.83Å; H119-D122 PolarHBondContact NE2-O 3.33Å; H119-L153 HydrophobicContact CB-CD2 3.71Å; H119-Y297 CarbonylContact C-O 3.56Å; H119-V299 WeakPolarHBondContact NE2-CG2 3.23Å; H119-E356 WeakPolarHBondContact O-CA 3.38Å; H119-E356 WeakPolarHBondContact O-CG 3.27Å; H119-I357 HydrophobicContact CB-CG1 4.21Å; H119-I357 VanDerWaalsContact CE1-CD1 3.43Å; H119-I357 WeakPolarHBondContact CE1-CD1 3.48Å; H119-I357 PolarHBondContact O-N 3.33Å; H119-I357 VanDerWaalsContact O-O 3.06Å; H119-P359 HydrophobicContact CB-CG 4.19Å
120	F	97.7	Very high	87	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.9	180	-59.1	-95.1	0	0	0	110.7	R118 H296 Y297 H298 V299 S352 F353 Q354 N355 E356	R118-F120 HydrophobicContact CB-CD2 4.4Å; R118-F120 HydrophobicContact CB-CE2 3.51Å; R118-F120 HydrophobicContact CB-CZ 3.97Å; F120-H296 HydrophobicContact CD2-CB 4.26Å; F120-H296 HydrophobicContact CE2-CB 3.75Å; F120-H296 AromaticContact CE2-CG 3.59Å; F120-H296 AromaticContact CE2-ND1 3.63Å; F120-H296 AromaticContact CZ-ND1 3.79Å; F120-Y297 PolarHBondContact N-O 3Å; F120-H298 HydrophobicContact CB-CB 4.25Å; F120-H298 WeakPolarHBondContact O-CA 3.15Å; F120-V299 PolarHBondContact O-N 2.84Å; F120-S352 WeakPolarHBondContact CE1-OG 3.3Å; F120-F353 HydrophobicContact CB-CB 3.73Å; F120-F353 HydrophobicContact CB-CD2 4.49Å; F120-F353 HydrophobicContact CD1-CB 3.83Å; F120-F353 WeakPolarHBondContact CD1-O 3.37Å; F120-F353 HydrophobicContact CD2-CB 4.17Å; F120-F353 AromaticContact CD2-CD2 3.9Å; F120-F353 HydrophobicContact CD2-CD2 3.9Å; F120-F353 HydrophobicContact CE1-CB 4.48Å; F120-F353 WeakPolarHBondContact CE1-O 3.32Å; F120-F353 HydrophobicContact CE2-CD2 4.35Å; F120-F353 HydrophobicContact CG-CB 3.67Å; F120-F353 HydrophobicContact CG-CD2 4.25Å; F120-F353 HydrophobicContact CG-CG 4.48Å; F120-Q354 WeakPolarHBondContact CB-O 3.33Å; F120-N355 CarbonylContact C-O 3.54Å; F120-N355 VanDerWaalsContact CA-O 3.3Å; F120-N355 WeakPolarHBondContact CA-O 3.12Å; F120-E356 HydrophobicContact CD1-CB 3.63Å; F120-E356 HydrophobicContact CD1-CG 4.02Å; F120-E356 HydrophobicContact CE1-CB 3.53Å; F120-E356 HydrophobicContact CE1-CG 3.71Å; F120-E356 HydrophobicContact CZ-CB 4.41Å; F120-E356 HydrophobicContact CZ-CG 4.11Å
121	G	96.9	Very high	85.4	Confident	12 Å²	12	48.4 Å²	48.4	12%	0.124	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.9	-131.7	179.1	0	0	0	0	0	112.2	V299 N355	G121-V299 WeakPolarHBondContact CA-O 3.45Å; G121-N355 PolarHBondContact N-O 2.8Å
122	D	95.2	Very high	84.1	Confident	48 Å²	48	50 Å²	50	26%	0.257	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-85.6	148.3	-170.3	-59.1	-32	0	0	0	112.9	H119 V299 R300 R301	H119-D122 PolarHBondContact CE1-O 2.83Å; H119-D122 PolarHBondContact NE2-O 3.33Å; D122-V299 PolarHBondContact N-O 3.12Å; D122-R300 WeakPolarHBondContact OD2-CA 3.45Å; D122-R301 HydrophobicContact CB-CB 4.12Å; D122-R301 PolarHBondContact OD2-N 2.91Å
123	R	92.3	Very high	83.4	Confident	97 Å²	97	49.6 Å²	49.6	37%	0.366	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-73	149.4	167.6	-75.4	-170.4	-175.2	-75.3	-9	111.3	I357 A358 D360	R123-I357 HydrophobicContact CB-CD1 4.42Å; R123-I357 HydrophobicContact CG-CD1 3.54Å; R123-A358 PolarHBondContact NH1-O 3.11Å; R123-D360 IonicContact CZ-OD1 2.66Å; R123-D360 IonicContact NH1-OD1 3.57Å; R123-D360 PolarHBondContact NH1-OD1 3.18Å; R123-D360 IonicContact NH1-OD2 3.77Å
124	V	90.3	Very high	83.3	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.012	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-92.5	128.8	173.4	-177	0	0	0	0	108.5	P126 F137 P156 I157 M160 Y269 V299	V124-P126 WeakPolarHBondContact O-CD 3.23Å; V124-F137 HydrophobicContact CG1-CE2 4.16Å; V124-F137 HydrophobicContact CG2-CE2 3.7Å; V124-F137 HydrophobicContact CG2-CZ 3.83Å; V124-P156 HydrophobicContact CB-CG 4.12Å; V124-P156 HydrophobicContact CG1-CG 3.5Å; V124-P156 VanDerWaalsContact CG1-CG 3.5Å; V124-I157 HydrophobicContact CB-CD1 4.19Å; V124-I157 HydrophobicContact CB-CG1 3.93Å; V124-I157 HydrophobicContact CG1-CG1 4.03Å; V124-I157 HydrophobicContact CG2-CD1 3.51Å; V124-I157 HydrophobicContact CG2-CG1 3.65Å; V124-M160 HydrophobicContact CG1-CE 4.15Å; V124-Y269 HydrophobicContact CB-CE1 4.12Å; V124-Y269 HydrophobicContact CG1-CE1 3.99Å; V124-Y269 HydrophobicContact CG1-CE2 4Å; V124-Y269 HydrophobicContact CG2-CD1 3.97Å; V124-Y269 HydrophobicContact CG2-CE1 3.84Å; V124-V299 HydrophobicContact CG2-CG1 4.06Å
125	I	83.8	Confident	83.3	Confident	52 Å²	52	48.5 Å²	48.5	27%	0.267	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-73.4	123.5	-176.4	-62.6	163.1	0	0	0	107.9	S127 Y269	I125-S127 PolarHBondContact O-N 3.38Å; I125-Y269 PolarHBondContact N-OH 3.43Å
126	P	77.1	Confident	83.4	Confident	66 Å²	66	48.4 Å²	48.4	43%	0.429	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-62.5	133.8	170.1	-19.2	32.3	0	0	0	110	V124 T128	V124-P126 WeakPolarHBondContact O-CD 3.23Å; P126-T128 PolarHBondContact O-N 3.19Å
127	S	66.3	Low	83.4	Confident	35 Å²	35	45.8 Å²	45.8	25%	0.245	25%	0.247	C	C	.	.			trans	-64.9	106.6	166.1	168.9	0	0	0	0	108.3	I125	I125-S127 PolarHBondContact O-N 3.38Å
128	T	57.9	Low	83.5	Confident	71 Å²	71	45.2 Å²	45.2	44%	0.436	24%	0.244	S	C	.	.			trans	-70.5	151	165.4	61.8	0	0	0	0	108	P126 T130	P126-T128 PolarHBondContact O-N 3.19Å; T128-T130 PolarHBondContact O-N 3.21Å; T128-T130 VanDerWaalsContact O-N 3.16Å; T128-T130 PolarHBondContact OG1-OG1 3.33Å
129	T	54.7	Low	83.6	Confident	149 Å²	149	43.1 Å²	43.1	91%	0.914	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.8	-179.8	46.5	0	0	0	0	113.4
130	T	53.8	Low	83.7	Confident	118 Å²	118	43.2 Å²	43.2	72%	0.724	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	-20.9	-175.7	48.9	0	0	0	0	113.5	T128	T128-T130 PolarHBondContact O-N 3.21Å; T128-T130 VanDerWaalsContact O-N 3.16Å; T128-T130 PolarHBondContact OG1-OG1 3.33Å
131	E	62.9	Low	83.7	Confident	140 Å²	140	44.4 Å²	44.4	65%	0.654	24%	0.242	S	C	*	.	S	Bend	trans	-119.3	134.3	-176.2	-66.5	-176.5	-175.7	0	0	111.8	H133	E131-H133 PolarHBondContact O-N 3.5Å
132	H	70.5	Confident	83.6	Confident	103 Å²	103	44.4 Å²	44.4	48%	0.477	24%	0.239	S	C	.	.			trans	-64.1	105.3	173.3	-67.2	-82.4	0	0	0	109.3	Q209	H132-Q209 PolarHBondContact CE1-OE1 2.6Å; H132-Q209 PolarHBondContact ND1-O 3.41Å; H132-Q209 VanDerWaalsContact ND1-O 3.08Å
133	H	82.7	Confident	83.6	Confident	13 Å²	13	42.1 Å²	42.1	6%	0.06	23%	0.226	C	C	.	.			trans	-124.5	95.2	-179.5	-175.4	87.6	0	0	0	110.3	E131 S210 E267	E131-H133 PolarHBondContact O-N 3.5Å; H133-S210 VanDerWaalsContact O-CB 3.27Å; H133-S210 WeakPolarHBondContact O-CB 3.19Å; H133-E267 IonicContact CE1-OE1 3.74Å; H133-E267 PolarHBondContact CE1-OE1 3.05Å; H133-E267 VanDerWaalsContact CE1-OE1 3.29Å; H133-E267 IonicContact CE1-OE2 2.72Å; H133-E267 PolarHBondContact CE1-OE2 3.44Å; H133-E267 IonicContact ND1-OE1 3.62Å; H133-E267 PolarHBondContact ND1-OE1 3.47Å; H133-E267 IonicContact ND1-OE2 3.63Å; H133-E267 PolarHBondContact ND1-OE2 3.16Å; H133-E267 VanDerWaalsContact ND1-OE2 3.07Å; H133-E267 IonicContact NE2-OE2 2.94Å
134	S	93.1	Very high	83.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.3	169.3	-49.9	0	0	0	0	108.9	C211 N264 L265 T266	S134-C211 WeakPolarHBondContact CA-O 3.38Å; S134-C211 VanDerWaalsContact CB-O 3.26Å; S134-C211 WeakPolarHBondContact CB-O 3.45Å; S134-C211 PolarHBondContact OG-N 3.45Å; S134-N264 WeakPolarHBondContact CB-O 3.39Å; S134-N264 PolarHBondContact OG-O 3.07Å; S134-L265 WeakPolarHBondContact O-CD1 3.48Å; S134-T266 PolarHBondContact N-OG1 2.94Å; S134-T266 PolarHBondContact O-N 3.35Å; S134-T266 PolarHBondContact O-OG1 3.21Å
135	C	95.2	Very high	83.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.3	-177.6	65.9	0	0	0	0	112.1	C211 Q212 L213 E267 Y269	C135-C211 PolarHBondContact N-O 2.87Å; C135-Q212 WeakPolarHBondContact O-CA 3.46Å; C135-L213 PolarHBondContact O-N 3.49Å; C135-E267 WeakPolarHBondContact CA-O 3.45Å; C135-E267 HydrophobicContact CB-CB 4.32Å; C135-E267 VanDerWaalsContact CB-O 3.32Å; C135-E267 WeakPolarHBondContact CB-O 3.3Å; C135-Y269 HydrophobicContact CB-CD2 4.09Å; C135-Y269 HydrophobicContact CB-CE2 3.93Å
136	L	96.8	Very high	84.5	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124	174.8	-68	177.6	0	0	0	110.1	L138 L213 F253 L256 V257 I260 L265 E267 V268 Y269	L136-L138 HydrophobicContact CB-CD2 4.26Å; L136-L213 HydrophobicContact CD2-CB 3.85Å; L136-L213 HydrophobicContact CD2-CD1 4.22Å; L136-L213 HydrophobicContact CD2-CG 4.39Å; L136-F253 HydrophobicContact CD1-CD2 3.84Å; L136-F253 HydrophobicContact CD1-CE2 3.72Å; L136-L256 HydrophobicContact CD1-CB 4.13Å; L136-L256 HydrophobicContact CD2-CB 4.2Å; L136-L256 HydrophobicContact CD2-CD1 4.15Å; L136-V257 HydrophobicContact CD1-CG2 3.95Å; L136-I260 HydrophobicContact CD2-CD1 3.72Å; L136-I260 HydrophobicContact CG-CD1 4.13Å; L136-L265 HydrophobicContact CD1-CD1 4.34Å; L136-L265 HydrophobicContact CD1-CD2 3.97Å; L136-L265 HydrophobicContact CG-CD1 3.91Å; L136-L265 HydrophobicContact CG-CD2 4.44Å; L136-E267 PolarHBondContact N-O 3.39Å; L136-E267 VanDerWaalsContact N-O 3.08Å; L136-V268 CarbonylContact O-C 3.47Å; L136-V268 WeakPolarHBondContact O-CA 3.4Å; L136-Y269 PolarHBondContact O-N 3.02Å
137	F	96.8	Very high	85.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.8	175.7	-130.8	-107.5	0	0	0	109.7	V124 I139 I157 M160 L213 L214 I215 Y269 V271 V299	V124-F137 HydrophobicContact CG1-CE2 4.16Å; V124-F137 HydrophobicContact CG2-CE2 3.7Å; V124-F137 HydrophobicContact CG2-CZ 3.83Å; F137-I139 HydrophobicContact CD1-CD1 4Å; F137-I139 HydrophobicContact CD1-CG1 4.06Å; F137-I139 HydrophobicContact CE1-CD1 4.46Å; F137-I157 HydrophobicContact CD1-CG2 4.28Å; F137-I157 HydrophobicContact CE1-CD1 4.31Å; F137-I157 HydrophobicContact CE1-CG1 4.37Å; F137-I157 HydrophobicContact CE1-CG2 3.72Å; F137-I157 HydrophobicContact CE2-CD1 4.44Å; F137-I157 HydrophobicContact CE2-CG1 4.09Å; F137-I157 HydrophobicContact CZ-CB 4.48Å; F137-I157 HydrophobicContact CZ-CD1 3.68Å; F137-I157 HydrophobicContact CZ-CG1 3.72Å; F137-I157 HydrophobicContact CZ-CG2 3.95Å; F137-M160 HydrophobicContact CB-SD 3.57Å; F137-M160 VanDerWaalsContact CB-SD 3.57Å; F137-M160 HydrophobicContact CD1-SD 4.42Å; F137-M160 HydrophobicContact CD2-CE 3.42Å; F137-M160 VanDerWaalsContact CD2-CE 3.42Å; F137-M160 HydrophobicContact CD2-SD 3.5Å; F137-M160 WeakPolarHBondContact CD2-SD 3.27Å; F137-M160 HydrophobicContact CE2-CE 3.84Å; F137-M160 HydrophobicContact CE2-SD 4.3Å; F137-M160 HydrophobicContact CG-CE 4.17Å; F137-M160 HydrophobicContact CG-SD 3.59Å; F137-M160 VanDerWaalsContact CG-SD 3.59Å; F137-L213 PolarHBondContact N-O 2.98Å; F137-L214 HydrophobicContact CB-CB 4.23Å; F137-L214 HydrophobicContact CB-CG 4.25Å; F137-L214 WeakPolarHBondContact O-CA 3.26Å; F137-I215 PolarHBondContact O-N 3.29Å; F137-Y269 AromaticContact CD2-CD2 3.74Å; F137-Y269 HydrophobicContact CD2-CD2 3.74Å; F137-Y269 AromaticContact CD2-CG 3.62Å; F137-Y269 HydrophobicContact CD2-CG 3.62Å; F137-Y269 AromaticContact CE2-CD1 3.93Å; F137-Y269 HydrophobicContact CE2-CD1 3.93Å; F137-Y269 AromaticContact CE2-CD2 3.83Å; F137-Y269 HydrophobicContact CE2-CD2 3.83Å; F137-Y269 AromaticContact CE2-CG 3.39Å; F137-Y269 HydrophobicContact CE2-CG 3.39Å; F137-Y269 HydrophobicContact CZ-CG 4.46Å; F137-V271 HydrophobicContact CD1-CB 4.4Å; F137-V271 HydrophobicContact CD1-CG2 3.67Å; F137-V271 HydrophobicContact CE1-CB 4.06Å; F137-V271 HydrophobicContact CE1-CG1 4.3Å; F137-V271 HydrophobicContact CE1-CG2 3.15Å; F137-V271 HydrophobicContact CE2-CG2 4.25Å; F137-V271 HydrophobicContact CG-CG2 4.42Å; F137-V271 HydrophobicContact CZ-CG2 3.46Å; F137-V271 VanDerWaalsContact CZ-CG2 3.46Å; F137-V299 HydrophobicContact CZ-CG1 4.39Å
138	L	97.9	Very high	86.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	103.5	-173.5	-50.4	-171.9	0	0	0	109.9	L136 I215 P217 F253 V268 Y269 V271 W328 L329 W333 K336	L136-L138 HydrophobicContact CB-CD2 4.26Å; L138-I215 HydrophobicContact CD2-CD1 3.54Å; L138-I215 HydrophobicContact CD2-CG1 3.36Å; L138-P217 HydrophobicContact CB-CG 4.15Å; L138-P217 HydrophobicContact CD2-CG 4.11Å; L138-F253 HydrophobicContact CD1-CD2 4.21Å; L138-F253 HydrophobicContact CD1-CE2 4.04Å; L138-F253 HydrophobicContact CD2-CD2 4.01Å; L138-F253 HydrophobicContact CD2-CE2 4.35Å; L138-V268 HydrophobicContact CD1-CG1 3.48Å; L138-V268 VanDerWaalsContact CD1-CG1 3.48Å; L138-V268 HydrophobicContact CG-CG1 3.77Å; L138-Y269 PolarHBondContact N-O 2.81Å; L138-V271 PolarHBondContact O-N 3.22Å; L138-W328 HydrophobicContact CD1-CH2 4.19Å; L138-W328 HydrophobicContact CD1-CZ3 3.95Å; L138-L329 HydrophobicContact CD1-CD1 3.78Å; L138-W333 HydrophobicContact CB-CH2 4.17Å; L138-W333 HydrophobicContact CB-CZ3 4.33Å; L138-K336 PolarHBondContact O-NZ 3.4Å; L138-K336 VanDerWaalsContact O-NZ 3.14Å
139	I	97.9	Very high	88.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.7	-178.5	-39.6	-167.5	0	0	0	110.1	F137 V150 L214 I215 F216 V271 V273	F137-I139 HydrophobicContact CD1-CD1 4Å; F137-I139 HydrophobicContact CD1-CG1 4.06Å; F137-I139 HydrophobicContact CE1-CD1 4.46Å; I139-V150 HydrophobicContact CD1-CB 4.36Å; I139-V150 HydrophobicContact CD1-CG2 3.73Å; I139-L214 HydrophobicContact CD1-CD1 3.58Å; I139-L214 HydrophobicContact CD1-CD2 4.06Å; I139-L214 HydrophobicContact CD1-CG 3.89Å; I139-L214 HydrophobicContact CG1-CD1 4.4Å; I139-L214 HydrophobicContact CG1-CD2 4.28Å; I139-L214 HydrophobicContact CG1-CG 4.18Å; I139-I215 PolarHBondContact N-O 2.85Å; I139-I215 VanDerWaalsContact N-O 3.08Å; I139-F216 HydrophobicContact CB-CD1 4.02Å; I139-F216 HydrophobicContact CB-CE1 3.8Å; I139-F216 HydrophobicContact CG2-CE1 4.2Å; I139-F216 WeakPolarHBondContact O-CD1 3.48Å; I139-V271 WeakPolarHBondContact CA-O 3.48Å; I139-V271 HydrophobicContact CG1-CB 4.16Å; I139-V271 HydrophobicContact CG2-CB 4.49Å; I139-V271 HydrophobicContact CG2-CG1 4.37Å; I139-V273 HydrophobicContact CG2-CB 4.17Å; I139-V273 HydrophobicContact CG2-CG1 3.94Å
140	N	98.1	Very high	90.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.011	14%	0.137	C	C	.	.			trans	-64.9	148.7	163.7	63.8	-60.3	0	0	0	110.1	E218 T245 V271 T272 V273 W333 K336	N140-E218 VanDerWaalsContact CA-OE1 3.23Å; N140-E218 WeakPolarHBondContact CA-OE1 3.4Å; N140-E218 VanDerWaalsContact CB-OE1 3.25Å; N140-E218 WeakPolarHBondContact CB-OE1 3.47Å; N140-T245 HydrophobicContact CB-CG2 4.33Å; N140-V271 PolarHBondContact N-O 2.96Å; N140-V271 PolarHBondContact OD1-O 3.48Å; N140-T272 VanDerWaalsContact OD1-CA 3.24Å; N140-T272 WeakPolarHBondContact OD1-CA 3.31Å; N140-V273 PolarHBondContact ND2-O 3.03Å; N140-V273 WeakPolarHBondContact O-CG1 3.49Å; N140-V273 PolarHBondContact OD1-N 3.45Å; N140-W333 HydrophobicContact CB-CZ2 4.4Å; N140-K336 HydrophobicContact CB-CD 4.32Å
141	H	96.6	Very high	92.5	Very high	24 Å²	24	23.2 Å²	23.2	11%	0.111	11%	0.105	C	C	.	.			trans	-111.8	80.8	-170.6	-158.5	16.5	0	0	0	112.1	T143 D146 F216 E218 T220 N221 L222	H141-T143 PolarHBondContact CE1-O 3.23Å; H141-T143 PolarHBondContact ND1-O 3.33Å; H141-D146 VanDerWaalsContact C-OD2 3.26Å; H141-D146 WeakPolarHBondContact CA-OD2 3.13Å; H141-D146 IonicContact CE1-OD2 3.17Å; H141-D146 IonicContact CG-OD2 2.68Å; H141-D146 IonicContact ND1-OD2 2.83Å; H141-D146 PolarHBondContact ND1-OD2 2.8Å; H141-F216 HydrophobicContact CB-CB 3.99Å; H141-F216 HydrophobicContact CB-CD1 3.59Å; H141-F216 HydrophobicContact CB-CE1 4.4Å; H141-F216 HydrophobicContact CB-CG 4.03Å; H141-F216 AromaticContact CG-CD1 3.58Å; H141-F216 AromaticContact CG-CG 3.83Å; H141-F216 AromaticContact ND1-CD1 3.66Å; H141-F216 AromaticContact ND1-CE1 3.69Å; H141-E218 PolarHBondContact N-OE1 3.05Å; H141-E218 VanDerWaalsContact N-OE1 3.11Å; H141-T220 VanDerWaalsContact CD2-C 3.42Å; H141-N221 PolarHBondContact CD2-N 3.44Å; H141-N221 CarbonylContact O-C 3.54Å; H141-N221 VanDerWaalsContact O-CA 3.22Å; H141-N221 WeakPolarHBondContact O-CA 3.27Å; H141-L222 PolarHBondContact O-N 2.93Å
142	R	96.2	Very high	94	Very high	13 Å²	13	16.6 Å²	16.6	5%	0.049	8%	0.075	C	C	.	.			trans	-76.6	-39.9	-179.2	-179.6	57.8	-175.9	-169.6	-6.4	112.8	Q41 P42 D146 Y275 L279	Q41-R142 PolarHBondContact O-NH1 3.45Å; P42-R142 PolarHBondContact O-NH2 3.49Å; R142-D146 PolarHBondContact N-OD2 3.07Å; R142-Y275 HydrophobicContact CB-CD2 4.49Å; R142-Y275 HydrophobicContact CB-CE2 4.21Å; R142-Y275 HydrophobicContact CG-CD2 4.07Å; R142-Y275 HydrophobicContact CG-CE2 4.19Å; R142-L279 HydrophobicContact CG-CD1 3.73Å
143	T	95.3	Very high	95.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-137.3	161.9	-176.8	78.4	0	0	0	0	112	H141 L145 D146 Y275 L279 P280	H141-T143 PolarHBondContact CE1-O 3.23Å; H141-T143 PolarHBondContact ND1-O 3.33Å; T143-L145 PolarHBondContact O-N 3.12Å; T143-L145 PolarHBondContact OG1-N 3.42Å; T143-L145 VanDerWaalsContact OG1-N 3.09Å; T143-D146 VanDerWaalsContact N-CG 3.33Å; T143-D146 PolarHBondContact N-OD1 2.97Å; T143-D146 VanDerWaalsContact N-OD1 3.12Å; T143-D146 PolarHBondContact N-OD2 3.34Å; T143-D146 PolarHBondContact O-N 3.38Å; T143-D146 PolarHBondContact OG1-N 2.91Å; T143-D146 PolarHBondContact OG1-OD1 3.32Å; T143-Y275 HydrophobicContact CG2-CD2 4.33Å; T143-Y275 HydrophobicContact CG2-CE2 3.75Å; T143-Y275 PolarHBondContact OG1-OH 2.88Å; T143-L279 HydrophobicContact CG2-CD1 3.4Å; T143-L279 HydrophobicContact CG2-CG 3.88Å; T143-P280 HydrophobicContact CG2-CG 4.36Å
144	Q	93.6	Very high	95.5	Very high	89 Å²	89	11.1 Å²	11.1	42%	0.416	5%	0.049	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-5.4	172.9	-68.8	-174.6	84.2	0	0	113.8	W147 E283	Q144-W147 PolarHBondContact O-NE1 3.38Å; Q144-E283 HydrophobicContact CB-CG 4.05Å; Q144-E283 WeakPolarHBondContact CB-OE1 3.46Å; Q144-E283 WeakPolarHBondContact CG-OE1 3.45Å; Q144-E283 VanDerWaalsContact NE2-CD 3.34Å; Q144-E283 PolarHBondContact NE2-OE1 3.21Å; Q144-E283 PolarHBondContact NE2-OE2 2.94Å; Q144-E283 PolarHBondContact OE1-OE1 3.07Å; Q144-E283 VanDerWaalsContact OE1-OE1 3.08Å
145	L	95.4	Very high	95.3	Very high	18 Å²	18	12 Å²	12	9%	0.094	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	5.1	-178.1	-66.8	172.9	0	0	0	113.7	T143 W147 F148 F149 P280 E283 L286	T143-L145 PolarHBondContact O-N 3.12Å; T143-L145 PolarHBondContact OG1-N 3.42Å; T143-L145 VanDerWaalsContact OG1-N 3.09Å; L145-W147 PolarHBondContact O-N 3.28Å; L145-F148 HydrophobicContact CD2-CB 4.46Å; L145-F148 WeakPolarHBondContact O-CA 3.4Å; L145-F148 WeakPolarHBondContact O-CB 3.41Å; L145-F148 PolarHBondContact O-N 3.22Å; L145-F149 HydrophobicContact CB-CD2 3.98Å; L145-F149 HydrophobicContact CB-CE2 3.88Å; L145-F149 HydrophobicContact CD1-CE2 4.23Å; L145-F149 WeakPolarHBondContact O-CD2 3.05Å; L145-F149 PolarHBondContact O-N 2.94Å; L145-P280 HydrophobicContact CD1-CB 4.07Å; L145-E283 HydrophobicContact CD1-CB 4.05Å; L145-E283 HydrophobicContact CD1-CG 3.89Å; L145-E283 HydrophobicContact CD2-CB 4.49Å; L145-E283 HydrophobicContact CD2-CG 3.95Å; L145-E283 HydrophobicContact CG-CB 4.32Å; L145-E283 HydrophobicContact CG-CG 3.66Å; L145-L286 HydrophobicContact CD1-CD1 3.51Å; L145-L286 HydrophobicContact CD1-CG 4.1Å
146	D	96.1	Very high	94.9	Very high	0 Å²	0	12 Å²	12	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.1	-38.5	180	-56.5	-25.5	0	0	0	111.4	H141 R142 T143 F148 V150 F216 Y275	H141-D146 VanDerWaalsContact C-OD2 3.26Å; H141-D146 WeakPolarHBondContact CA-OD2 3.13Å; H141-D146 IonicContact CE1-OD2 3.17Å; H141-D146 IonicContact CG-OD2 2.68Å; H141-D146 IonicContact ND1-OD2 2.83Å; H141-D146 PolarHBondContact ND1-OD2 2.8Å; R142-D146 PolarHBondContact N-OD2 3.07Å; T143-D146 VanDerWaalsContact N-CG 3.33Å; T143-D146 PolarHBondContact N-OD1 2.97Å; T143-D146 VanDerWaalsContact N-OD1 3.12Å; T143-D146 PolarHBondContact N-OD2 3.34Å; T143-D146 PolarHBondContact O-N 3.38Å; T143-D146 PolarHBondContact OG1-N 2.91Å; T143-D146 PolarHBondContact OG1-OD1 3.32Å; D146-F148 PolarHBondContact O-N 3.26Å; D146-V150 WeakPolarHBondContact O-CB 3.32Å; D146-V150 PolarHBondContact O-N 3.43Å; D146-V150 VanDerWaalsContact O-N 3.13Å; D146-F216 HydrophobicContact CB-CE1 3.84Å; D146-F216 HydrophobicContact CB-CZ 4.12Å; D146-Y275 WeakPolarHBondContact OD1-CE2 3.16Å; D146-Y275 PolarHBondContact OD1-OH 3.32Å
147	W	93.8	Very high	94.4	Very high	59 Å²	59	12.3 Å²	12.3	22%	0.223	6%	0.056	C	C	.	.	H	α-helix	trans	-65.5	-21.8	175.7	67.5	-93.7	0	0	0	113.8	Q144 L145 V150 W151 I162 F216	Q144-W147 PolarHBondContact O-NE1 3.38Å; L145-W147 PolarHBondContact O-N 3.28Å; W147-V150 VanDerWaalsContact O-CG1 3.28Å; W147-V150 WeakPolarHBondContact O-CG1 3.34Å; W147-W151 HydrophobicContact CE3-CH2 4.07Å; W147-W151 AromaticContact CE3-CZ2 3.88Å; W147-W151 HydrophobicContact CE3-CZ2 3.88Å; W147-W151 AromaticContact CZ3-CH2 3.44Å; W147-W151 HydrophobicContact CZ3-CH2 3.44Å; W147-W151 VanDerWaalsContact CZ3-CH2 3.44Å; W147-W151 AromaticContact CZ3-CZ2 3.73Å; W147-W151 HydrophobicContact CZ3-CZ2 3.73Å; W147-W151 AromaticContact CZ3-CZ3 3.96Å; W147-W151 HydrophobicContact CZ3-CZ3 3.96Å; W147-I162 HydrophobicContact CB-CD1 4.15Å; W147-I162 HydrophobicContact CB-CG2 4.44Å; W147-I162 HydrophobicContact CE3-CD1 4.48Å; W147-F216 HydrophobicContact CB-CE2 4.16Å; W147-F216 HydrophobicContact CB-CZ 4.02Å
148	F	95.5	Very high	93.9	Very high	13 Å²	13	12.3 Å²	12.3	6%	0.057	6%	0.056	C	C	.	.	H	α-helix	trans	-86.8	-49.4	179.4	166.9	-105.6	0	0	0	110.2	L64 I109 F113 L145 D146 V150 W151	L64-F148 HydrophobicContact CD1-CE2 3.49Å; L64-F148 VanDerWaalsContact CD1-CE2 3.49Å; L64-F148 HydrophobicContact CD1-CZ 3.74Å; I109-F148 HydrophobicContact CD1-CD1 4.45Å; I109-F148 HydrophobicContact CD1-CD2 4.36Å; I109-F148 HydrophobicContact CD1-CE1 4.04Å; I109-F148 HydrophobicContact CD1-CE2 3.93Å; I109-F148 HydrophobicContact CD1-CZ 3.77Å; I109-F148 WeakPolarHBondContact CD1-O 3.29Å; I109-F148 HydrophobicContact CG1-CD1 4.44Å; I109-F148 HydrophobicContact CG1-CE1 3.59Å; I109-F148 HydrophobicContact CG1-CE2 3.91Å; I109-F148 HydrophobicContact CG1-CZ 3.28Å; F113-F148 HydrophobicContact CD2-CE1 4.19Å; F113-F148 AromaticContact CE2-CE1 3.63Å; F113-F148 HydrophobicContact CE2-CE1 3.63Å; F113-F148 AromaticContact CE2-CZ 3.93Å; F113-F148 HydrophobicContact CE2-CZ 3.93Å; F113-F148 HydrophobicContact CZ-CE1 4.44Å; F113-F148 HydrophobicContact CZ-CZ 4.36Å; L145-F148 HydrophobicContact CD2-CB 4.46Å; L145-F148 WeakPolarHBondContact O-CA 3.4Å; L145-F148 WeakPolarHBondContact O-CB 3.41Å; L145-F148 PolarHBondContact O-N 3.22Å; D146-F148 PolarHBondContact O-N 3.26Å; F148-V150 PolarHBondContact O-N 2.88Å; F148-W151 AromaticContact CD2-CE3 3.74Å; F148-W151 HydrophobicContact CD2-CE3 3.74Å; F148-W151 AromaticContact CD2-CZ3 3.79Å; F148-W151 HydrophobicContact CD2-CZ3 3.79Å; F148-W151 HydrophobicContact CE2-CE3 4.2Å; F148-W151 HydrophobicContact CE2-CZ3 4.29Å; F148-W151 WeakPolarHBondContact O-CB 3.23Å; F148-W151 PolarHBondContact O-N 2.97Å
149	F	96.7	Very high	93.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.2	-24.7	-179.4	-73.5	-70.5	0	0	0	112.9	I109 F113 C115 I117 L145 W151 G152 Y275 P280 L286 P292 V295 Y297	I109-F149 HydrophobicContact CG2-CD1 4.02Å; I109-F149 HydrophobicContact CG2-CE1 4.39Å; F113-F149 HydrophobicContact CD2-CE1 4.44Å; C115-F149 HydrophobicContact CB-CE1 4.21Å; I117-F149 HydrophobicContact CD1-CB 4.43Å; I117-F149 HydrophobicContact CD1-CD1 4.24Å; L145-F149 HydrophobicContact CB-CD2 3.98Å; L145-F149 HydrophobicContact CB-CE2 3.88Å; L145-F149 HydrophobicContact CD1-CE2 4.23Å; L145-F149 WeakPolarHBondContact O-CD2 3.05Å; L145-F149 PolarHBondContact O-N 2.94Å; F149-W151 PolarHBondContact O-N 3.31Å; F149-G152 PolarHBondContact O-N 3Å; F149-G152 VanDerWaalsContact O-N 3.13Å; F149-Y275 HydrophobicContact CD2-CE1 4.18Å; F149-Y275 HydrophobicContact CE2-CE1 4.45Å; F149-P280 HydrophobicContact CD2-CG 4.46Å; F149-P280 HydrophobicContact CE2-CB 4.19Å; F149-P280 HydrophobicContact CE2-CG 3.72Å; F149-P280 HydrophobicContact CZ-CG 4.43Å; F149-L286 HydrophobicContact CZ-CD2 4.46Å; F149-P292 HydrophobicContact CE1-CG 3.9Å; F149-P292 HydrophobicContact CE2-CG 4.17Å; F149-P292 HydrophobicContact CZ-CG 3.6Å; F149-V295 HydrophobicContact CB-CG1 4.49Å; F149-V295 HydrophobicContact CB-CG2 4.28Å; F149-V295 HydrophobicContact CD1-CG2 4.09Å; F149-V295 HydrophobicContact CG-CG2 4.08Å; F149-Y297 VanDerWaalsContact CB-OH 3.29Å; F149-Y297 WeakPolarHBondContact CB-OH 3.35Å
150	V	96	Very high	93.2	Very high	1 Å²	1	16 Å²	16	1%	0.006	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-62.8	-25.1	177.2	78	0	0	0	0	112.1	I139 D146 W147 F148 G152 L153 I157 L214 Y297	I139-V150 HydrophobicContact CD1-CB 4.36Å; I139-V150 HydrophobicContact CD1-CG2 3.73Å; D146-V150 WeakPolarHBondContact O-CB 3.32Å; D146-V150 PolarHBondContact O-N 3.43Å; D146-V150 VanDerWaalsContact O-N 3.13Å; W147-V150 VanDerWaalsContact O-CG1 3.28Å; W147-V150 WeakPolarHBondContact O-CG1 3.34Å; F148-V150 PolarHBondContact O-N 2.88Å; V150-G152 PolarHBondContact O-N 3.48Å; V150-L153 HydrophobicContact CG2-CD1 3.83Å; V150-L153 WeakPolarHBondContact O-CB 3.44Å; V150-L153 PolarHBondContact O-N 2.91Å; V150-I157 HydrophobicContact CG2-CG2 3.8Å; V150-L214 HydrophobicContact CG1-CD1 3.88Å; V150-L214 HydrophobicContact CG2-CD1 4.32Å; V150-Y297 WeakPolarHBondContact CA-OH 3.38Å; V150-Y297 HydrophobicContact CB-CE1 4.17Å; V150-Y297 HydrophobicContact CG2-CE1 4.06Å; V150-Y297 PolarHBondContact N-OH 2.94Å
151	W	95.3	Very high	93	Very high	12 Å²	12	16.3 Å²	16.3	5%	0.045	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-62.6	-25.8	176.5	-65	-21.3	0	0	0	113	W101 L102 A105 I109 W147 F148 F149 L153 G154 I162	W101-W151 AromaticContact CH2-CH2 3.96Å; W101-W151 HydrophobicContact CH2-CH2 3.96Å; W101-W151 AromaticContact CH2-CZ3 3.77Å; W101-W151 HydrophobicContact CH2-CZ3 3.77Å; W101-W151 HydrophobicContact CZ3-CE3 4.42Å; W101-W151 AromaticContact CZ3-CH2 3.57Å; W101-W151 HydrophobicContact CZ3-CH2 3.57Å; W101-W151 HydrophobicContact CZ3-CZ2 4.49Å; W101-W151 AromaticContact CZ3-CZ3 3.56Å; W101-W151 HydrophobicContact CZ3-CZ3 3.56Å; L102-W151 HydrophobicContact CD2-CD2 3.6Å; L102-W151 VanDerWaalsContact CD2-CE2 3.49Å; L102-W151 HydrophobicContact CD2-CE3 4.11Å; L102-W151 HydrophobicContact CD2-CG 3.85Å; L102-W151 HydrophobicContact CD2-CH2 4.31Å; L102-W151 HydrophobicContact CD2-CZ2 3.88Å; L102-W151 HydrophobicContact CD2-CZ3 4.44Å; A105-W151 HydrophobicContact CB-CE3 3.83Å; A105-W151 HydrophobicContact CB-CZ3 4.15Å; I109-W151 HydrophobicContact CD1-CB 4.24Å; W147-W151 HydrophobicContact CE3-CH2 4.07Å; W147-W151 AromaticContact CE3-CZ2 3.88Å; W147-W151 HydrophobicContact CE3-CZ2 3.88Å; W147-W151 AromaticContact CZ3-CH2 3.44Å; W147-W151 HydrophobicContact CZ3-CH2 3.44Å; W147-W151 VanDerWaalsContact CZ3-CH2 3.44Å; W147-W151 AromaticContact CZ3-CZ2 3.73Å; W147-W151 HydrophobicContact CZ3-CZ2 3.73Å; W147-W151 AromaticContact CZ3-CZ3 3.96Å; W147-W151 HydrophobicContact CZ3-CZ3 3.96Å; F148-W151 AromaticContact CD2-CE3 3.74Å; F148-W151 HydrophobicContact CD2-CE3 3.74Å; F148-W151 AromaticContact CD2-CZ3 3.79Å; F148-W151 HydrophobicContact CD2-CZ3 3.79Å; F148-W151 HydrophobicContact CE2-CE3 4.2Å; F148-W151 HydrophobicContact CE2-CZ3 4.29Å; F148-W151 WeakPolarHBondContact O-CB 3.23Å; F148-W151 PolarHBondContact O-N 2.97Å; F149-W151 PolarHBondContact O-N 3.31Å; W151-L153 PolarHBondContact O-N 3.43Å; W151-G154 PolarHBondContact O-N 3.17Å; W151-I162 HydrophobicContact CZ2-CD1 4.37Å
152	G	94.5	Very high	93	Very high	2 Å²	2	15.3 Å²	15.3	2%	0.021	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-78	2.7	175.6	0	0	0	0	0	114.6	I117 F149 V150	I117-G152 WeakPolarHBondContact CB-O 3.49Å; F149-G152 PolarHBondContact O-N 3Å; F149-G152 VanDerWaalsContact O-N 3.13Å; V150-G152 PolarHBondContact O-N 3.48Å
153	L	93.3	Very high	92.9	Very high	1 Å²	1	16 Å²	16	1%	0.005	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-74.4	-14.6	164.4	-72	172.5	0	0	0	112.9	I117 H119 V150 W151 I157 Y297 D360	I117-L153 HydrophobicContact CG2-CD2 3.75Å; I117-L153 HydrophobicContact CG2-CG 3.99Å; H119-L153 HydrophobicContact CB-CD2 3.71Å; V150-L153 HydrophobicContact CG2-CD1 3.83Å; V150-L153 WeakPolarHBondContact O-CB 3.44Å; V150-L153 PolarHBondContact O-N 2.91Å; W151-L153 PolarHBondContact O-N 3.43Å; L153-I157 HydrophobicContact CB-CB 4.45Å; L153-I157 HydrophobicContact CB-CD1 3.84Å; L153-I157 HydrophobicContact CD1-CD1 3.7Å; L153-I157 HydrophobicContact CD1-CG2 4.28Å; L153-I157 HydrophobicContact CG-CD1 4.36Å; L153-Y297 HydrophobicContact CD1-CD1 4.02Å; L153-Y297 HydrophobicContact CD1-CD2 3.84Å; L153-Y297 HydrophobicContact CD1-CE2 4.4Å; L153-Y297 HydrophobicContact CD1-CG 3.63Å; L153-Y297 HydrophobicContact CD2-CD2 3.74Å; L153-Y297 HydrophobicContact CD2-CG 4.07Å; L153-Y297 HydrophobicContact CG-CD2 3.76Å; L153-Y297 HydrophobicContact CG-CE2 4.24Å; L153-Y297 HydrophobicContact CG-CG 4.08Å; L153-D360 PolarHBondContact O-N 3.33Å
154	G	92	Very high	92.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	81.7	-157.2	-179.9	0	0	0	0	0	113.5	W151 I157 Q158	W151-G154 PolarHBondContact O-N 3.17Å; G154-I157 PolarHBondContact O-N 2.96Å; G154-Q158 VanDerWaalsContact O-CB 3.32Å; G154-Q158 WeakPolarHBondContact O-CB 3.33Å; G154-Q158 VanDerWaalsContact O-CG 3.31Å; G154-Q158 WeakPolarHBondContact O-CG 3.36Å; G154-Q158 PolarHBondContact O-N 2.99Å
155	D	88.1	Confident	92.7	Very high	18 Å²	18	18.5 Å²	18.5	10%	0.096	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	141.2	-172.4	-158.7	68.4	0	0	0	111.7	R159 D360 L362	D155-R159 VanDerWaalsContact CG-NH1 3.26Å; D155-R159 VanDerWaalsContact CG-NH2 3.35Å; D155-R159 WeakPolarHBondContact OD1-CD 3.47Å; D155-R159 VanDerWaalsContact OD1-CG 3.3Å; D155-R159 WeakPolarHBondContact OD1-CG 3.32Å; D155-R159 IonicContact OD1-CZ 3.26Å; D155-R159 IonicContact OD1-NE 2.84Å; D155-R159 PolarHBondContact OD1-NE 3.47Å; D155-R159 IonicContact OD1-NH1 3.14Å; D155-R159 PolarHBondContact OD1-NH1 3.06Å; D155-R159 IonicContact OD1-NH2 3.93Å; D155-R159 PolarHBondContact OD1-NH2 3.42Å; D155-R159 IonicContact OD2-CZ 3.71Å; D155-R159 IonicContact OD2-NE 3.65Å; D155-R159 IonicContact OD2-NH1 2.72Å; D155-R159 PolarHBondContact OD2-NH1 3.3Å; D155-R159 IonicContact OD2-NH2 2.92Å; D155-R159 PolarHBondContact OD2-NH2 2.72Å; D155-D360 PolarHBondContact N-O 3.35Å; D155-D360 WeakPolarHBondContact O-CB 3.15Å; D155-L362 HydrophobicContact CB-CD1 3.94Å; D155-L362 HydrophobicContact CB-CG 3.9Å
156	P	86.7	Confident	92.6	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.1	-9.6	3.9	36.2	-39.1	0	0	0	114.3	V124 Q158 R159	V124-P156 HydrophobicContact CB-CG 4.12Å; V124-P156 HydrophobicContact CG1-CG 3.5Å; V124-P156 VanDerWaalsContact CG1-CG 3.5Å; P156-Q158 VanDerWaalsContact C-N 3.28Å; P156-Q158 PolarHBondContact O-N 3.36Å; P156-R159 WeakPolarHBondContact O-CB 3.42Å; P156-R159 PolarHBondContact O-N 2.91Å
157	I	87.5	Confident	92.4	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.026	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-55.9	-43	-169.9	-57.7	169.8	0	0	0	111.6	V124 F137 V150 L153 G154 R159 M160	V124-I157 HydrophobicContact CB-CD1 4.19Å; V124-I157 HydrophobicContact CB-CG1 3.93Å; V124-I157 HydrophobicContact CG1-CG1 4.03Å; V124-I157 HydrophobicContact CG2-CD1 3.51Å; V124-I157 HydrophobicContact CG2-CG1 3.65Å; F137-I157 HydrophobicContact CD1-CG2 4.28Å; F137-I157 HydrophobicContact CE1-CD1 4.31Å; F137-I157 HydrophobicContact CE1-CG1 4.37Å; F137-I157 HydrophobicContact CE1-CG2 3.72Å; F137-I157 HydrophobicContact CE2-CD1 4.44Å; F137-I157 HydrophobicContact CE2-CG1 4.09Å; F137-I157 HydrophobicContact CZ-CB 4.48Å; F137-I157 HydrophobicContact CZ-CD1 3.68Å; F137-I157 HydrophobicContact CZ-CG1 3.72Å; F137-I157 HydrophobicContact CZ-CG2 3.95Å; V150-I157 HydrophobicContact CG2-CG2 3.8Å; L153-I157 HydrophobicContact CB-CB 4.45Å; L153-I157 HydrophobicContact CB-CD1 3.84Å; L153-I157 HydrophobicContact CD1-CD1 3.7Å; L153-I157 HydrophobicContact CD1-CG2 4.28Å; L153-I157 HydrophobicContact CG-CD1 4.36Å; G154-I157 PolarHBondContact O-N 2.96Å; I157-R159 PolarHBondContact O-N 2.91Å; I157-R159 VanDerWaalsContact O-N 3.15Å; I157-M160 WeakPolarHBondContact O-CB 3.11Å; I157-M160 WeakPolarHBondContact O-CG 3.33Å; I157-M160 PolarHBondContact O-N 2.86Å
158	Q	86.1	Confident	92.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-58.4	-29.6	179.3	70.3	-177.3	-10.6	0	0	112.9	L102 G154 P156	L102-Q158 HydrophobicContact CB-CB 4.46Å; L102-Q158 HydrophobicContact CB-CG 4.38Å; L102-Q158 HydrophobicContact CD1-CG 4.47Å; L102-Q158 WeakPolarHBondContact CD1-O 3.41Å; G154-Q158 VanDerWaalsContact O-CB 3.32Å; G154-Q158 WeakPolarHBondContact O-CB 3.33Å; G154-Q158 VanDerWaalsContact O-CG 3.31Å; G154-Q158 WeakPolarHBondContact O-CG 3.36Å; G154-Q158 PolarHBondContact O-N 2.99Å; P156-Q158 VanDerWaalsContact C-N 3.28Å; P156-Q158 PolarHBondContact O-N 3.36Å
159	R	87.5	Confident	92.4	Very high	76 Å²	76	21 Å²	21	29%	0.287	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-84.8	-7	-175.5	-62	-165.3	-60.6	-130.4	-3.9	114.1	T99 D155 P156 I157	T99-R159 HydrophobicContact CG2-CG 4.37Å; T99-R159 WeakPolarHBondContact OG1-CD 3.47Å; D155-R159 VanDerWaalsContact CG-NH1 3.26Å; D155-R159 VanDerWaalsContact CG-NH2 3.35Å; D155-R159 WeakPolarHBondContact OD1-CD 3.47Å; D155-R159 VanDerWaalsContact OD1-CG 3.3Å; D155-R159 WeakPolarHBondContact OD1-CG 3.32Å; D155-R159 IonicContact OD1-CZ 3.26Å; D155-R159 IonicContact OD1-NE 2.84Å; D155-R159 PolarHBondContact OD1-NE 3.47Å; D155-R159 IonicContact OD1-NH1 3.14Å; D155-R159 PolarHBondContact OD1-NH1 3.06Å; D155-R159 IonicContact OD1-NH2 3.93Å; D155-R159 PolarHBondContact OD1-NH2 3.42Å; D155-R159 IonicContact OD2-CZ 3.71Å; D155-R159 IonicContact OD2-NE 3.65Å; D155-R159 IonicContact OD2-NH1 2.72Å; D155-R159 PolarHBondContact OD2-NH1 3.3Å; D155-R159 IonicContact OD2-NH2 2.92Å; D155-R159 PolarHBondContact OD2-NH2 2.72Å; P156-R159 WeakPolarHBondContact O-CB 3.42Å; P156-R159 PolarHBondContact O-N 2.91Å; I157-R159 PolarHBondContact O-N 2.91Å; I157-R159 VanDerWaalsContact O-N 3.15Å
160	M	92.7	Very high	92.3	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.015	12%	0.124	C	C	.	.	S	Bend	trans	-62.1	147.1	179.4	-62.3	-169.8	174.2	0	0	111.5	V124 F137 I157 Q212 L214	V124-M160 HydrophobicContact CG1-CE 4.15Å; F137-M160 HydrophobicContact CB-SD 3.57Å; F137-M160 VanDerWaalsContact CB-SD 3.57Å; F137-M160 HydrophobicContact CD1-SD 4.42Å; F137-M160 HydrophobicContact CD2-CE 3.42Å; F137-M160 VanDerWaalsContact CD2-CE 3.42Å; F137-M160 HydrophobicContact CD2-SD 3.5Å; F137-M160 WeakPolarHBondContact CD2-SD 3.27Å; F137-M160 HydrophobicContact CE2-CE 3.84Å; F137-M160 HydrophobicContact CE2-SD 4.3Å; F137-M160 HydrophobicContact CG-CE 4.17Å; F137-M160 HydrophobicContact CG-SD 3.59Å; F137-M160 VanDerWaalsContact CG-SD 3.59Å; I157-M160 WeakPolarHBondContact O-CB 3.11Å; I157-M160 WeakPolarHBondContact O-CG 3.33Å; I157-M160 PolarHBondContact O-N 2.86Å; M160-Q212 HydrophobicContact CB-CB 4.47Å; M160-Q212 HydrophobicContact CG-CB 3.98Å; M160-L214 HydrophobicContact CB-CB 4.45Å
161	K	95	Very high	92.2	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.035	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.1	179.5	-47.8	-54.6	-177.9	178.7	0	109.2	D95 G181 F183 L204 Q212 L213 L214	D95-K161 IonicContact OD1-NZ 3.84Å; D95-K161 PolarHBondContact OD1-NZ 3.33Å; K161-G181 WeakPolarHBondContact CD-O 3.36Å; K161-G181 VanDerWaalsContact CE-O 3.32Å; K161-G181 WeakPolarHBondContact CE-O 3.27Å; K161-G181 PolarHBondContact NZ-O 3.33Å; K161-F183 HydrophobicContact CB-CD2 4.49Å; K161-F183 HydrophobicContact CD-CD2 4.09Å; K161-F183 HydrophobicContact CD-CE2 4.08Å; K161-L204 HydrophobicContact CG-CD1 4.1Å; K161-Q212 PolarHBondContact N-O 3.28Å; K161-L213 HydrophobicContact CB-CD2 3.83Å; K161-L213 WeakPolarHBondContact O-CA 3.45Å; K161-L214 PolarHBondContact O-N 3.03Å
162	I	94.9	Very high	92.2	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	137.1	-175.5	-48.2	-178.4	0	0	0	109.6	W147 W151 L164 F183 I184 L214	W147-I162 HydrophobicContact CB-CD1 4.15Å; W147-I162 HydrophobicContact CB-CG2 4.44Å; W147-I162 HydrophobicContact CE3-CD1 4.48Å; W151-I162 HydrophobicContact CZ2-CD1 4.37Å; I162-L164 HydrophobicContact CB-CD2 4.24Å; I162-L164 HydrophobicContact CB-CG 4.11Å; I162-L164 HydrophobicContact CG2-CD2 3.51Å; I162-L164 HydrophobicContact CG2-CG 3.83Å; I162-F183 HydrophobicContact CB-CD1 4Å; I162-F183 HydrophobicContact CB-CE1 3.83Å; I162-F183 HydrophobicContact CD1-CE1 3.94Å; I162-F183 HydrophobicContact CD1-CZ 4.36Å; I162-F183 HydrophobicContact CG1-CD1 4.42Å; I162-F183 HydrophobicContact CG1-CE1 3.76Å; I162-F183 HydrophobicContact CG1-CZ 4.08Å; I162-I184 PolarHBondContact O-N 2.93Å; I162-L214 HydrophobicContact CG1-CB 4.36Å; I162-L214 HydrophobicContact CG2-CD2 4.18Å
163	I	94.6	Very high	92.2	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.138	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116.2	170.2	-55.3	-165.5	0	0	0	109.1	I184 L186 L197 L213 L214 I215 L256	I163-I184 WeakPolarHBondContact CA-O 3.41Å; I163-I184 HydrophobicContact CD1-CD1 4.29Å; I163-I184 HydrophobicContact CG1-CB 4.13Å; I163-I184 HydrophobicContact CG1-CD1 4.21Å; I163-I184 HydrophobicContact CG2-CG2 4.47Å; I163-L186 HydrophobicContact CG2-CD1 3.41Å; I163-L186 VanDerWaalsContact CG2-CD1 3.41Å; I163-L186 HydrophobicContact CG2-CD2 4.04Å; I163-L186 HydrophobicContact CG2-CG 3.51Å; I163-L197 HydrophobicContact CD1-CD2 3.75Å; I163-L213 HydrophobicContact CD1-CD1 4.5Å; I163-L214 PolarHBondContact N-O 2.91Å; I163-I215 HydrophobicContact CB-CG2 4.19Å; I163-I215 HydrophobicContact CD1-CG2 3.5Å; I163-I215 VanDerWaalsContact CD1-CG2 3.5Å; I163-I215 HydrophobicContact CG1-CG2 3.84Å; I163-L256 HydrophobicContact CD1-CD1 3.75Å; I163-L256 HydrophobicContact CD1-CD2 4.19Å
164	L	92.4	Very high	92.3	Very high	16 Å²	16	32.2 Å²	32.2	8%	0.084	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	167.4	-166.6	-68	178.7	0	0	0	112.7	I162 L168 M178 F183 I184 F185 L186	I162-L164 HydrophobicContact CB-CD2 4.24Å; I162-L164 HydrophobicContact CB-CG 4.11Å; I162-L164 HydrophobicContact CG2-CD2 3.51Å; I162-L164 HydrophobicContact CG2-CG 3.83Å; L164-L168 HydrophobicContact CB-CD1 4.03Å; L164-L168 HydrophobicContact CD1-CD1 4.19Å; L164-L168 HydrophobicContact CD2-CD1 3.96Å; L164-L168 HydrophobicContact CG-CD1 4.3Å; L164-M178 HydrophobicContact CD1-CE 4.49Å; L164-M178 HydrophobicContact CD1-SD 3.44Å; L164-M178 WeakPolarHBondContact CD1-SD 3.38Å; L164-F183 HydrophobicContact CD1-CD1 3.69Å; L164-F183 HydrophobicContact CD1-CE1 4.34Å; L164-I184 PolarHBondContact N-O 2.73Å; L164-F185 HydrophobicContact CB-CD1 4.08Å; L164-F185 HydrophobicContact CB-CE1 4.28Å; L164-F185 HydrophobicContact CD1-CE1 4.24Å; L164-F185 CarbonylContact O-C 3.51Å; L164-F185 WeakPolarHBondContact O-CA 3.31Å; L164-L186 PolarHBondContact O-N 2.89Å
165	K	92.1	Very high	92.6	Very high	127 Å²	127	32.2 Å²	32.2	55%	0.552	17%	0.17	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.4	172.3	-170.6	176.3	176.6	177.3	0	111.1	S167 L168	K165-S167 WeakPolarHBondContact CD-OG 3.49Å; K165-S167 WeakPolarHBondContact CG-OG 3.41Å; K165-S167 PolarHBondContact O-N 2.97Å; K165-L168 WeakPolarHBondContact O-CB 3.42Å; K165-L168 PolarHBondContact O-N 3.44Å
166	D	93	Very high	93	Very high	21 Å²	21	31.9 Å²	31.9	11%	0.112	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.3	-179.8	-174.1	97.7	0	0	0	114.5	L168 A169 K170 F185 L186 R187 R196	D166-L168 PolarHBondContact O-N 2.88Å; D166-A169 WeakPolarHBondContact O-CB 3.42Å; D166-A169 PolarHBondContact O-N 3.45Å; D166-K170 IonicContact OD2-NZ 3.83Å; D166-F185 HydrophobicContact CB-CB 4.46Å; D166-L186 WeakPolarHBondContact CB-O 3.29Å; D166-L186 PolarHBondContact N-O 3.25Å; D166-R187 HydrophobicContact CB-CG 3.66Å; D166-R187 VanDerWaalsContact CG-CG 3.49Å; D166-R187 WeakPolarHBondContact OD1-CG 3.45Å; D166-R187 IonicContact OD1-NE 3.19Å; D166-R187 PolarHBondContact OD1-NE 3.39Å; D166-R187 IonicContact OD1-NH2 3.98Å; D166-R187 IonicContact OD2-NE 3.54Å; D166-R196 IonicContact OD1-CZ 2.64Å; D166-R196 IonicContact OD1-NH1 2.73Å; D166-R196 PolarHBondContact OD1-NH1 2.69Å; D166-R196 IonicContact OD1-NH2 3.87Å
167	S	93.6	Very high	93.5	Very high	58 Å²	58	32.3 Å²	32.3	41%	0.406	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.4	171.9	55.4	0	0	0	0	113.1	K165 A169 K170	K165-S167 WeakPolarHBondContact CD-OG 3.49Å; K165-S167 WeakPolarHBondContact CG-OG 3.41Å; K165-S167 PolarHBondContact O-N 2.97Å; S167-A169 VanDerWaalsContact C-N 3.3Å; S167-A169 PolarHBondContact O-N 2.73Å; S167-K170 WeakPolarHBondContact O-CB 3.49Å; S167-K170 PolarHBondContact O-N 2.89Å
168	L	93.6	Very high	94	Very high	54 Å²	54	33.1 Å²	33.1	28%	0.283	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-71	-26.9	179.4	-68	171.2	0	0	0	112.3	L164 K165 D166 K170 V171 G175 M178 F185	L164-L168 HydrophobicContact CB-CD1 4.03Å; L164-L168 HydrophobicContact CD1-CD1 4.19Å; L164-L168 HydrophobicContact CD2-CD1 3.96Å; L164-L168 HydrophobicContact CG-CD1 4.3Å; K165-L168 WeakPolarHBondContact O-CB 3.42Å; K165-L168 PolarHBondContact O-N 3.44Å; D166-L168 PolarHBondContact O-N 2.88Å; L168-K170 PolarHBondContact O-N 3.29Å; L168-K170 VanDerWaalsContact O-N 3.17Å; L168-V171 PolarHBondContact O-N 3.46Å; L168-G175 WeakPolarHBondContact O-CA 3.17Å; L168-M178 HydrophobicContact CB-CE 4.19Å; L168-F185 HydrophobicContact CB-CE1 4.28Å
169	A	94.7	Very high	94.5	Very high	8 Å²	8	33.2 Å²	33.2	7%	0.066	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-62	-22.6	173.2	0	0	0	0	0	112.6	D166 S167 Q179 F185	D166-A169 WeakPolarHBondContact O-CB 3.42Å; D166-A169 PolarHBondContact O-N 3.45Å; S167-A169 VanDerWaalsContact C-N 3.3Å; S167-A169 PolarHBondContact O-N 2.73Å; A169-Q179 PolarHBondContact O-NE2 3.06Å; A169-F185 HydrophobicContact CB-CB 4.41Å; A169-F185 HydrophobicContact CB-CD1 3.68Å; A169-F185 HydrophobicContact CB-CD2 3.78Å; A169-F185 HydrophobicContact CB-CE1 3.73Å; A169-F185 HydrophobicContact CB-CE2 3.84Å; A169-F185 HydrophobicContact CB-CG 3.69Å; A169-F185 HydrophobicContact CB-CZ 3.79Å
170	K	94.6	Very high	95	Very high	96 Å²	96	29.6 Å²	29.6	42%	0.417	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-91.8	-5.5	-173.3	-56.8	177.4	-175.2	175.9	0	113.5	D166 S167 L168 P172 T417 Y418	D166-K170 IonicContact OD2-NZ 3.83Å; S167-K170 WeakPolarHBondContact O-CB 3.49Å; S167-K170 PolarHBondContact O-N 2.89Å; L168-K170 PolarHBondContact O-N 3.29Å; L168-K170 VanDerWaalsContact O-N 3.17Å; K170-P172 WeakPolarHBondContact O-CD 2.92Å; K170-T417 HydrophobicContact CG-CG2 4.2Å; K170-Y418 HydrophobicContact CD-CE1 4.41Å
171	V	94.9	Very high	95.1	Very high	55 Å²	55	29.4 Å²	29.4	33%	0.333	16%	0.161	S	C	.	.	S	Bend	trans	-70.9	120.1	176.9	-179.6	0	0	0	0	108.7	L168 G173 A174 G175	L168-V171 PolarHBondContact O-N 3.46Å; V171-G173 PolarHBondContact O-N 3.3Å; V171-A174 HydrophobicContact CG1-CB 4.17Å; V171-G175 WeakPolarHBondContact O-CA 3.18Å; V171-G175 PolarHBondContact O-N 2.97Å
172	P	93.9	Very high	95.2	Very high	81 Å²	81	29.1 Å²	29.1	53%	0.526	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	140	177.6	-25.3	35.7	0	0	0	111.8	Y69 K170 A174 W176	Y69-P172 HydrophobicContact CE2-CB 4.45Å; K170-P172 WeakPolarHBondContact O-CD 2.92Å; P172-A174 PolarHBondContact O-N 2.77Å; P172-W176 HydrophobicContact CB-CH2 3.99Å; P172-W176 HydrophobicContact CB-CZ2 3.86Å
173	G	95.2	Very high	95.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-80.8	-174.1	0	0	0	0	0	112.6	S72 V171 G175 W176 A177	S72-G173 PolarHBondContact OG-O 3.17Å; V171-G173 PolarHBondContact O-N 3.3Å; G173-G175 VanDerWaalsContact C-N 3.33Å; G173-G175 PolarHBondContact O-N 2.84Å; G173-W176 VanDerWaalsContact N-CD2 3.34Å; G173-W176 WeakPolarHBondContact O-CB 2.93Å; G173-W176 PolarHBondContact O-N 3.14Å; G173-A177 PolarHBondContact O-N 3.31Å
174	A	95.6	Very high	95.2	Very high	21 Å²	21	27.8 Å²	27.8	17%	0.174	15%	0.153	C	C	.	.	H	α-helix	trans	-57	-44	-175.9	0	0	0	0	0	113	L65 A68 V171 P172 W176 A177 M178	L65-A174 HydrophobicContact CD2-CB 4.48Å; A68-A174 HydrophobicContact CB-CB 4.32Å; V171-A174 HydrophobicContact CG1-CB 4.17Å; P172-A174 PolarHBondContact O-N 2.77Å; A174-W176 VanDerWaalsContact C-N 3.35Å; A174-W176 PolarHBondContact O-N 3.39Å; A174-A177 PolarHBondContact O-N 3.45Å; A174-M178 WeakPolarHBondContact O-CB 3.41Å; A174-M178 WeakPolarHBondContact O-CE 3.3Å; A174-M178 WeakPolarHBondContact O-CG 3.27Å; A174-M178 PolarHBondContact O-N 3.28Å
175	G	97	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-39.4	175.2	0	0	0	0	0	112.6	L168 V171 G173 M178 Q179	L168-G175 WeakPolarHBondContact O-CA 3.17Å; V171-G175 WeakPolarHBondContact O-CA 3.18Å; V171-G175 PolarHBondContact O-N 2.97Å; G173-G175 VanDerWaalsContact C-N 3.33Å; G173-G175 PolarHBondContact O-N 2.84Å; G175-M178 PolarHBondContact O-N 2.87Å; G175-Q179 WeakPolarHBondContact O-CG 3.32Å; G175-Q179 PolarHBondContact O-N 2.85Å
176	W	97.8	Very high	95.3	Very high	10 Å²	10	22.5 Å²	22.5	4%	0.038	13%	0.13	C	C	.	.	H	α-helix	trans	-66.9	-45.4	176.7	-53	-25.4	0	0	0	111.6	Y69 I73 P172 G173 A174 M178 Q179 C180 Q410 F413	Y69-W176 HydrophobicContact CD2-CH2 4.46Å; Y69-W176 AromaticContact CD2-CZ3 3.94Å; Y69-W176 HydrophobicContact CD2-CZ3 3.94Å; Y69-W176 AromaticContact CE2-CH2 3.87Å; Y69-W176 HydrophobicContact CE2-CH2 3.87Å; Y69-W176 AromaticContact CE2-CZ3 3.66Å; Y69-W176 HydrophobicContact CE2-CZ3 3.66Å; I73-W176 HydrophobicContact CD1-CZ3 4.17Å; I73-W176 HydrophobicContact CG1-CZ3 4.13Å; P172-W176 HydrophobicContact CB-CH2 3.99Å; P172-W176 HydrophobicContact CB-CZ2 3.86Å; G173-W176 VanDerWaalsContact N-CD2 3.34Å; G173-W176 WeakPolarHBondContact O-CB 2.93Å; G173-W176 PolarHBondContact O-N 3.14Å; A174-W176 VanDerWaalsContact C-N 3.35Å; A174-W176 PolarHBondContact O-N 3.39Å; W176-M178 VanDerWaalsContact C-N 3.34Å; W176-M178 PolarHBondContact O-N 2.77Å; W176-Q179 WeakPolarHBondContact O-CB 3.45Å; W176-Q179 PolarHBondContact O-N 2.79Å; W176-C180 PolarHBondContact O-N 2.78Å; W176-Q410 HydrophobicContact CH2-CB 4.28Å; W176-Q410 HydrophobicContact CH2-CG 3.92Å; W176-Q410 HydrophobicContact CZ3-CG 4.17Å; W176-F413 HydrophobicContact CB-CD1 3.84Å; W176-F413 HydrophobicContact CB-CD2 4.41Å; W176-F413 HydrophobicContact CB-CE1 4.08Å; W176-F413 HydrophobicContact CB-CG 4.04Å; W176-F413 HydrophobicContact CB-CZ 4.45Å; W176-F413 HydrophobicContact CD2-CB 3.6Å; W176-F413 HydrophobicContact CD2-CD1 4.49Å; W176-F413 HydrophobicContact CD2-CD2 4.01Å; W176-F413 AromaticContact CD2-CG 3.82Å; W176-F413 HydrophobicContact CD2-CG 3.82Å; W176-F413 HydrophobicContact CE3-CB 4.17Å; W176-F413 AromaticContact CE3-CD2 3.83Å; W176-F413 HydrophobicContact CE3-CD2 3.83Å; W176-F413 HydrophobicContact CE3-CE2 4.47Å; W176-F413 HydrophobicContact CE3-CG 4.14Å; W176-F413 HydrophobicContact CG-CB 3.75Å; W176-F413 AromaticContact CG-CD1 3.97Å; W176-F413 HydrophobicContact CG-CD1 3.97Å; W176-F413 HydrophobicContact CG-CD2 4.29Å; W176-F413 AromaticContact CG-CG 3.78Å; W176-F413 HydrophobicContact CG-CG 3.78Å; W176-F413 HydrophobicContact CZ2-CB 4.18Å; W176-F413 HydrophobicContact CZ3-CD2 4.45Å
177	A	97.4	Very high	95.1	Very high	11 Å²	11	26.3 Å²	26.3	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-57.8	-46.2	174.7	0	0	0	0	0	111.6	S72 M76 G173 A174 Q179 C180 G181	S72-A177 WeakPolarHBondContact OG-CB 3.45Å; S72-A177 PolarHBondContact OG-N 3.21Å; M76-A177 HydrophobicContact SD-CB 4.09Å; G173-A177 PolarHBondContact O-N 3.31Å; A174-A177 PolarHBondContact O-N 3.45Å; A177-Q179 PolarHBondContact O-N 2.86Å; A177-C180 CarbonylContact O-C 2.98Å; A177-C180 PolarHBondContact O-N 3Å; A177-G181 PolarHBondContact O-N 3.3Å
178	M	97	Very high	94.7	Very high	22 Å²	22	27.8 Å²	27.8	11%	0.108	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-36.4	177.8	-72.9	-174.3	-70.5	0	0	112.5	L164 L168 A174 G175 W176 G181 S182 F183 F185	L164-M178 HydrophobicContact CD1-CE 4.49Å; L164-M178 HydrophobicContact CD1-SD 3.44Å; L164-M178 WeakPolarHBondContact CD1-SD 3.38Å; L168-M178 HydrophobicContact CB-CE 4.19Å; A174-M178 WeakPolarHBondContact O-CB 3.41Å; A174-M178 WeakPolarHBondContact O-CE 3.3Å; A174-M178 WeakPolarHBondContact O-CG 3.27Å; A174-M178 PolarHBondContact O-N 3.28Å; G175-M178 PolarHBondContact O-N 2.87Å; W176-M178 VanDerWaalsContact C-N 3.34Å; W176-M178 PolarHBondContact O-N 2.77Å; M178-G181 CarbonylContact O-C 3.59Å; M178-G181 PolarHBondContact O-N 2.89Å; M178-S182 PolarHBondContact O-N 2.93Å; M178-F183 HydrophobicContact CB-CB 4.1Å; M178-F183 HydrophobicContact CB-CD1 4.09Å; M178-F183 HydrophobicContact CB-CG 4.11Å; M178-F183 HydrophobicContact CG-CD1 3.8Å; M178-F183 HydrophobicContact CG-CE1 4.12Å; M178-F183 HydrophobicContact CG-CG 4.27Å; M178-F183 WeakPolarHBondContact O-CB 3.34Å; M178-F183 PolarHBondContact O-N 2.72Å; M178-F183 HydrophobicContact SD-CD1 3.91Å; M178-F183 HydrophobicContact SD-CE1 4.26Å; M178-F185 HydrophobicContact CB-CE1 4.45Å; M178-F185 HydrophobicContact CB-CE2 4.49Å; M178-F185 HydrophobicContact CB-CZ 3.64Å; M178-F185 HydrophobicContact CE-CE1 4.45Å
179	Q	97.4	Very high	94.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-47.9	172.2	-70	171.3	42.4	0	0	111.5	A169 G175 W176 A177 G181 S182 F185 T417 V423 N424	A169-Q179 PolarHBondContact O-NE2 3.06Å; G175-Q179 WeakPolarHBondContact O-CG 3.32Å; G175-Q179 PolarHBondContact O-N 2.85Å; W176-Q179 WeakPolarHBondContact O-CB 3.45Å; W176-Q179 PolarHBondContact O-N 2.79Å; A177-Q179 PolarHBondContact O-N 2.86Å; Q179-G181 PolarHBondContact O-N 3.49Å; Q179-S182 PolarHBondContact O-N 3.45Å; Q179-S182 VanDerWaalsContact O-N 3.14Å; Q179-F185 HydrophobicContact CB-CE2 4.48Å; Q179-F185 HydrophobicContact CG-CD2 4.5Å; Q179-F185 HydrophobicContact CG-CE2 3.7Å; Q179-F185 HydrophobicContact CG-CZ 4.32Å; Q179-T417 PolarHBondContact NE2-OG1 2.78Å; Q179-V423 HydrophobicContact CB-CB 4.03Å; Q179-N424 WeakPolarHBondContact O-CA 3.35Å; Q179-N424 VanDerWaalsContact O-CB 3.24Å; Q179-N424 WeakPolarHBondContact O-CB 3.32Å; Q179-N424 PolarHBondContact O-N 3.34Å
180	C	97.3	Very high	93.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-30	173.8	-69	0	0	0	0	112.2	M76 R91 W176 A177 S182	M76-C180 HydrophobicContact CB-CB 4.2Å; M76-C180 HydrophobicContact CG-CB 4.35Å; M76-C180 HydrophobicContact SD-CB 3.51Å; M76-C180 VanDerWaalsContact SD-CB 3.51Å; R91-C180 PolarHBondContact NH1-O 3.35Å; R91-C180 PolarHBondContact NH2-O 2.99Å; W176-C180 PolarHBondContact O-N 2.78Å; A177-C180 CarbonylContact O-C 2.98Å; A177-C180 PolarHBondContact O-N 3Å; C180-S182 PolarHBondContact O-N 2.84Å
181	G	95.6	Very high	93.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-3.8	174.7	0	0	0	0	0	115.3	K161 A177 M178 Q179 F183	K161-G181 WeakPolarHBondContact CD-O 3.36Å; K161-G181 VanDerWaalsContact CE-O 3.32Å; K161-G181 WeakPolarHBondContact CE-O 3.27Å; K161-G181 PolarHBondContact NZ-O 3.33Å; A177-G181 PolarHBondContact O-N 3.3Å; M178-G181 CarbonylContact O-C 3.59Å; M178-G181 PolarHBondContact O-N 2.89Å; Q179-G181 PolarHBondContact O-N 3.49Å; G181-F183 VanDerWaalsContact C-N 3.28Å; G181-F183 PolarHBondContact O-N 2.68Å
182	S	95.7	Very high	92.8	Very high	1 Å²	1	33 Å²	33	1%	0.007	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	34.4	-172.7	-66.5	0	0	0	0	113.9	R91 M178 Q179 C180 Y203	R91-S182 PolarHBondContact NH1-OG 3.26Å; M178-S182 PolarHBondContact O-N 2.93Å; Q179-S182 PolarHBondContact O-N 3.45Å; Q179-S182 VanDerWaalsContact O-N 3.14Å; C180-S182 PolarHBondContact O-N 2.84Å; S182-Y203 WeakPolarHBondContact OG-CE1 3.3Å
183	F	96.2	Very high	92.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	14%	0.143	C	C	.	.			trans	-67.1	156.8	167.5	-78.1	-147.3	0	0	0	109.8	L98 K161 I162 L164 M178 G181 F185 N424	L98-F183 HydrophobicContact CD2-CE2 3.93Å; K161-F183 HydrophobicContact CB-CD2 4.49Å; K161-F183 HydrophobicContact CD-CD2 4.09Å; K161-F183 HydrophobicContact CD-CE2 4.08Å; I162-F183 HydrophobicContact CB-CD1 4Å; I162-F183 HydrophobicContact CB-CE1 3.83Å; I162-F183 HydrophobicContact CD1-CE1 3.94Å; I162-F183 HydrophobicContact CD1-CZ 4.36Å; I162-F183 HydrophobicContact CG1-CD1 4.42Å; I162-F183 HydrophobicContact CG1-CE1 3.76Å; I162-F183 HydrophobicContact CG1-CZ 4.08Å; L164-F183 HydrophobicContact CD1-CD1 3.69Å; L164-F183 HydrophobicContact CD1-CE1 4.34Å; M178-F183 HydrophobicContact CB-CB 4.1Å; M178-F183 HydrophobicContact CB-CD1 4.09Å; M178-F183 HydrophobicContact CB-CG 4.11Å; M178-F183 HydrophobicContact CG-CD1 3.8Å; M178-F183 HydrophobicContact CG-CE1 4.12Å; M178-F183 HydrophobicContact CG-CG 4.27Å; M178-F183 WeakPolarHBondContact O-CB 3.34Å; M178-F183 PolarHBondContact O-N 2.72Å; M178-F183 HydrophobicContact SD-CD1 3.91Å; M178-F183 HydrophobicContact SD-CE1 4.26Å; G181-F183 VanDerWaalsContact C-N 3.28Å; G181-F183 PolarHBondContact O-N 2.68Å; F183-F185 HydrophobicContact CB-CE2 4.42Å; F183-F185 HydrophobicContact CB-CZ 4.3Å; F183-N424 PolarHBondContact O-ND2 2.75Å
184	I	94.8	Very high	92.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.6	-173.4	-53.4	-178.4	0	0	0	109	I162 I163 L164 L186 L197 I200 L213	I162-I184 PolarHBondContact O-N 2.93Å; I163-I184 WeakPolarHBondContact CA-O 3.41Å; I163-I184 HydrophobicContact CD1-CD1 4.29Å; I163-I184 HydrophobicContact CG1-CB 4.13Å; I163-I184 HydrophobicContact CG1-CD1 4.21Å; I163-I184 HydrophobicContact CG2-CG2 4.47Å; L164-I184 PolarHBondContact N-O 2.73Å; I184-L186 HydrophobicContact CG2-CD2 4.06Å; I184-L197 HydrophobicContact CD1-CD2 4.03Å; I184-L197 HydrophobicContact CG2-CD2 3.72Å; I184-L197 HydrophobicContact CG2-CG 4.36Å; I184-I200 HydrophobicContact CB-CD1 4.3Å; I184-I200 HydrophobicContact CD1-CB 4.31Å; I184-I200 HydrophobicContact CD1-CG2 4Å; I184-I200 HydrophobicContact CG1-CB 4.24Å; I184-I200 HydrophobicContact CG1-CD1 3.92Å; I184-I200 HydrophobicContact CG1-CG2 3.8Å; I184-I200 HydrophobicContact CG2-CD1 4.21Å; I184-L213 HydrophobicContact CD1-CD1 4.4Å; I184-L213 HydrophobicContact CD1-CD2 3.96Å
185	F	94.3	Very high	92.1	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	111.8	-175.8	-63.9	-71.9	0	0	0	111.4	L164 D166 L168 A169 M178 Q179 F183 R196 N424	L164-F185 HydrophobicContact CB-CD1 4.08Å; L164-F185 HydrophobicContact CB-CE1 4.28Å; L164-F185 HydrophobicContact CD1-CE1 4.24Å; L164-F185 CarbonylContact O-C 3.51Å; L164-F185 WeakPolarHBondContact O-CA 3.31Å; D166-F185 HydrophobicContact CB-CB 4.46Å; L168-F185 HydrophobicContact CB-CE1 4.28Å; A169-F185 HydrophobicContact CB-CB 4.41Å; A169-F185 HydrophobicContact CB-CD1 3.68Å; A169-F185 HydrophobicContact CB-CD2 3.78Å; A169-F185 HydrophobicContact CB-CE1 3.73Å; A169-F185 HydrophobicContact CB-CE2 3.84Å; A169-F185 HydrophobicContact CB-CG 3.69Å; A169-F185 HydrophobicContact CB-CZ 3.79Å; M178-F185 HydrophobicContact CB-CE1 4.45Å; M178-F185 HydrophobicContact CB-CE2 4.49Å; M178-F185 HydrophobicContact CB-CZ 3.64Å; M178-F185 HydrophobicContact CE-CE1 4.45Å; Q179-F185 HydrophobicContact CB-CE2 4.48Å; Q179-F185 HydrophobicContact CG-CD2 4.5Å; Q179-F185 HydrophobicContact CG-CE2 3.7Å; Q179-F185 HydrophobicContact CG-CZ 4.32Å; F183-F185 HydrophobicContact CB-CE2 4.42Å; F183-F185 HydrophobicContact CB-CZ 4.3Å; F185-R196 PolarHBondContact O-NH1 3Å; F185-N424 WeakPolarHBondContact CD2-ND2 3.38Å
186	L	91.7	Very high	91.9	Very high	25 Å²	25	37.7 Å²	37.7	13%	0.131	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	134	-179.9	-54.5	-171.3	0	0	0	111.5	I163 L164 D166 I184 D193 L197	I163-L186 HydrophobicContact CG2-CD1 3.41Å; I163-L186 VanDerWaalsContact CG2-CD1 3.41Å; I163-L186 HydrophobicContact CG2-CD2 4.04Å; I163-L186 HydrophobicContact CG2-CG 3.51Å; L164-L186 PolarHBondContact O-N 2.89Å; D166-L186 WeakPolarHBondContact CB-O 3.29Å; D166-L186 PolarHBondContact N-O 3.25Å; I184-L186 HydrophobicContact CG2-CD2 4.06Å; L186-D193 WeakPolarHBondContact CA-OD1 3.5Å; L186-D193 HydrophobicContact CD2-CB 4.04Å; L186-L197 HydrophobicContact CD2-CD1 4.24Å; L186-L197 HydrophobicContact CD2-CD2 4.33Å; L186-L197 HydrophobicContact CD2-CG 4.16Å
187	R	88.8	Confident	91.7	Very high	101 Å²	101	38 Å²	38	38%	0.381	18%	0.179	S	C	.	.			trans	-91.2	-2.8	176.5	-82	178.3	176.3	174.1	6.1	113.6	D166 D193 N421	D166-R187 HydrophobicContact CB-CG 3.66Å; D166-R187 VanDerWaalsContact CG-CG 3.49Å; D166-R187 WeakPolarHBondContact OD1-CG 3.45Å; D166-R187 IonicContact OD1-NE 3.19Å; D166-R187 PolarHBondContact OD1-NE 3.39Å; D166-R187 IonicContact OD1-NH2 3.98Å; D166-R187 IonicContact OD2-NE 3.54Å; R187-D193 PolarHBondContact N-OD1 3.26Å; R187-D193 PolarHBondContact N-OD2 2.94Å; R187-N421 PolarHBondContact NH1-OD1 2.97Å; R187-N421 PolarHBondContact NH2-OD1 2.91Å
188	R	85.3	Confident	91.6	Very high	90 Å²	90	41.6 Å²	41.6	34%	0.34	19%	0.194	S	C	.	.	S	Bend	trans	57.1	53.8	-168.4	-50.7	-71.9	-178.5	144	-5.3	108.6	D193 G219 Y477	R188-D193 VanDerWaalsContact CA-OD2 3.27Å; R188-D193 WeakPolarHBondContact CA-OD2 3.44Å; R188-D193 PolarHBondContact N-OD2 3.47Å; R188-G219 PolarHBondContact NH1-O 2.86Å; R188-G219 PolarHBondContact NH2-O 3.12Å; R188-Y477 VanDerWaalsContact C-CD1 3.4Å; R188-Y477 WeakPolarHBondContact O-CD1 3.35Å
189	R	85.7	Confident	91.5	Very high	160 Å²	160	45.1 Å²	45.1	60%	0.604	21%	0.209	S	C	*	.			trans	-143.1	115.8	166.3	-66.8	-172.8	-178.2	-177	-0.9	110.6	A191 T192 D193 Y477	R189-A191 PolarHBondContact O-N 2.95Å; R189-T192 PolarHBondContact O-N 3.03Å; R189-T192 VanDerWaalsContact O-N 3.14Å; R189-D193 PolarHBondContact N-OD2 2.96Å; R189-D193 WeakPolarHBondContact O-CB 3.39Å; R189-D193 VanDerWaalsContact O-CG 3.31Å; R189-D193 PolarHBondContact O-N 3.43Å; R189-Y477 VanDerWaalsContact C-CE1 3.45Å; R189-Y477 VanDerWaalsContact N-CE1 3.31Å
190	I	80.1	Confident	91.4	Very high	58 Å²	58	45.1 Å²	45.1	30%	0.297	21%	0.209	S	C	.	.	H	α-helix	trans	-54.6	-54.8	-164	-155.9	144.7	0	0	0	113.6	T192 D193 Q194 Y477	I190-T192 VanDerWaalsContact C-N 3.3Å; I190-T192 PolarHBondContact O-N 3Å; I190-D193 PolarHBondContact O-N 3.34Å; I190-Q194 HydrophobicContact CG1-CG 4.17Å; I190-Q194 WeakPolarHBondContact O-CB 3.27Å; I190-Q194 VanDerWaalsContact O-CG 3.27Å; I190-Q194 WeakPolarHBondContact O-CG 3.31Å; I190-Q194 PolarHBondContact O-N 2.8Å; I190-Y477 VanDerWaalsContact CA-CZ 3.49Å; I190-Y477 WeakPolarHBondContact CA-OH 3.25Å; I190-Y477 HydrophobicContact CB-CE1 4.15Å; I190-Y477 HydrophobicContact CB-CE2 3.75Å; I190-Y477 WeakPolarHBondContact CB-OH 3.46Å; I190-Y477 HydrophobicContact CD1-CE2 3.93Å; I190-Y477 WeakPolarHBondContact CD1-OH 3.45Å; I190-Y477 HydrophobicContact CG1-CE2 4.31Å; I190-Y477 WeakPolarHBondContact CG1-OH 3.45Å; I190-Y477 PolarHBondContact N-OH 3.31Å
191	A	84.8	Confident	91.3	Very high	57 Å²	57	45.2 Å²	45.2	47%	0.471	21%	0.21	S	C	.	.	H	α-helix	trans	-63.6	-38.8	-175.3	0	0	0	0	0	111.6	R189 Q195	R189-A191 PolarHBondContact O-N 2.95Å; A191-Q195 WeakPolarHBondContact O-CG 3.13Å; A191-Q195 PolarHBondContact O-N 3.03Å
192	T	87.1	Confident	91.2	Very high	47 Å²	47	49 Å²	49	29%	0.288	23%	0.228	S	C	.	.	H	α-helix	trans	-70	-42.2	177.3	-53	0	0	0	0	111.7	R189 I190 R196	R189-T192 PolarHBondContact O-N 3.03Å; R189-T192 VanDerWaalsContact O-N 3.14Å; I190-T192 VanDerWaalsContact C-N 3.3Å; I190-T192 PolarHBondContact O-N 3Å; T192-R196 VanDerWaalsContact O-CG 3.29Å; T192-R196 WeakPolarHBondContact O-CG 3.41Å; T192-R196 PolarHBondContact O-N 3.36Å
193	D	90.7	Very high	91.2	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-72.3	-39.7	-176.2	-72.8	-18.5	0	0	0	111.5	L186 R187 R188 R189 I190 Q195 R196 L197	L186-D193 WeakPolarHBondContact CA-OD1 3.5Å; L186-D193 HydrophobicContact CD2-CB 4.04Å; R187-D193 PolarHBondContact N-OD1 3.26Å; R187-D193 PolarHBondContact N-OD2 2.94Å; R188-D193 VanDerWaalsContact CA-OD2 3.27Å; R188-D193 WeakPolarHBondContact CA-OD2 3.44Å; R188-D193 PolarHBondContact N-OD2 3.47Å; R189-D193 PolarHBondContact N-OD2 2.96Å; R189-D193 WeakPolarHBondContact O-CB 3.39Å; R189-D193 VanDerWaalsContact O-CG 3.31Å; R189-D193 PolarHBondContact O-N 3.43Å; I190-D193 PolarHBondContact O-N 3.34Å; D193-Q195 PolarHBondContact O-N 3.48Å; D193-R196 PolarHBondContact O-N 2.93Å; D193-L197 WeakPolarHBondContact O-CB 3.44Å; D193-L197 VanDerWaalsContact O-CG 3.3Å; D193-L197 WeakPolarHBondContact O-CG 3.38Å; D193-L197 PolarHBondContact O-N 3.15Å
194	Q	90	Very high	91.1	Very high	60 Å²	60	49.2 Å²	49.2	28%	0.28	23%	0.228	S	C	.	.	H	α-helix	trans	-58.6	-48.1	173.5	-74.9	-178.2	-25.2	0	0	111.8	I190 R196 L197 Q198	I190-Q194 HydrophobicContact CG1-CG 4.17Å; I190-Q194 WeakPolarHBondContact O-CB 3.27Å; I190-Q194 VanDerWaalsContact O-CG 3.27Å; I190-Q194 WeakPolarHBondContact O-CG 3.31Å; I190-Q194 PolarHBondContact O-N 2.8Å; Q194-R196 VanDerWaalsContact C-N 3.28Å; Q194-R196 PolarHBondContact O-N 3.5Å; Q194-L197 PolarHBondContact O-N 3Å; Q194-Q198 WeakPolarHBondContact O-CB 3.4Å; Q194-Q198 PolarHBondContact O-N 2.97Å
195	Q	90.1	Very high	91	Very high	118 Å²	118	50.8 Å²	50.8	55%	0.551	24%	0.236	S	C	*	.	H	α-helix	trans	-62.5	-34.8	177.5	-71.8	178.4	2.6	0	0	112.8	A191 D193 K199	A191-Q195 WeakPolarHBondContact O-CG 3.13Å; A191-Q195 PolarHBondContact O-N 3.03Å; D193-Q195 PolarHBondContact O-N 3.48Å; Q195-K199 WeakPolarHBondContact O-CB 3.33Å; Q195-K199 VanDerWaalsContact O-CG 3.27Å; Q195-K199 WeakPolarHBondContact O-CG 3.43Å; Q195-K199 PolarHBondContact O-N 3.44Å; Q195-K199 VanDerWaalsContact O-N 3.12Å
196	R	92.3	Very high	90.9	Very high	17 Å²	17	56 Å²	56	6%	0.064	26%	0.259	C	S	.	.	H	α-helix	trans	-70.3	-46	176.9	-75.1	170.3	167.4	-152.1	-11.2	111.9	D166 F185 T192 D193 Q194 K199 I200 N421 I425	D166-R196 IonicContact OD1-CZ 2.64Å; D166-R196 IonicContact OD1-NH1 2.73Å; D166-R196 PolarHBondContact OD1-NH1 2.69Å; D166-R196 IonicContact OD1-NH2 3.87Å; F185-R196 PolarHBondContact O-NH1 3Å; T192-R196 VanDerWaalsContact O-CG 3.29Å; T192-R196 WeakPolarHBondContact O-CG 3.41Å; T192-R196 PolarHBondContact O-N 3.36Å; D193-R196 PolarHBondContact O-N 2.93Å; Q194-R196 VanDerWaalsContact C-N 3.28Å; Q194-R196 PolarHBondContact O-N 3.5Å; R196-K199 PolarHBondContact O-N 3.28Å; R196-I200 WeakPolarHBondContact O-CG1 3.18Å; R196-I200 PolarHBondContact O-N 2.7Å; R196-N421 PolarHBondContact NH2-OD1 2.91Å; R196-I425 HydrophobicContact CB-CD1 4.28Å; R196-I425 HydrophobicContact CG-CD1 4.05Å
197	L	93.9	Very high	90.9	Very high	16 Å²	16	55.6 Å²	55.6	8%	0.084	26%	0.258	C	S	.	.	H	α-helix	trans	-57.1	-52.1	175.9	-74.9	163.2	0	0	0	110	I163 I184 L186 D193 Q194 K199 I200 V201 L256 L259	I163-L197 HydrophobicContact CD1-CD2 3.75Å; I184-L197 HydrophobicContact CD1-CD2 4.03Å; I184-L197 HydrophobicContact CG2-CD2 3.72Å; I184-L197 HydrophobicContact CG2-CG 4.36Å; L186-L197 HydrophobicContact CD2-CD1 4.24Å; L186-L197 HydrophobicContact CD2-CD2 4.33Å; L186-L197 HydrophobicContact CD2-CG 4.16Å; D193-L197 WeakPolarHBondContact O-CB 3.44Å; D193-L197 VanDerWaalsContact O-CG 3.3Å; D193-L197 WeakPolarHBondContact O-CG 3.38Å; D193-L197 PolarHBondContact O-N 3.15Å; Q194-L197 PolarHBondContact O-N 3Å; L197-K199 PolarHBondContact O-N 3.45Å; L197-I200 PolarHBondContact O-N 2.92Å; L197-V201 WeakPolarHBondContact O-CB 3.49Å; L197-V201 VanDerWaalsContact O-CG2 3.29Å; L197-V201 WeakPolarHBondContact O-CG2 3.48Å; L197-V201 PolarHBondContact O-N 3.2Å; L197-L256 HydrophobicContact CD2-CD2 3.88Å; L197-L259 HydrophobicContact CB-CD1 3.62Å
198	Q	94.4	Very high	90.9	Very high	87 Å²	87	54.6 Å²	54.6	41%	0.407	26%	0.256	S	S	.	.	H	α-helix	trans	-54.1	-52.1	178	-178.8	177.6	2.9	0	0	111.8	Q194 I200 V201 E202 L259	Q194-Q198 WeakPolarHBondContact O-CB 3.4Å; Q194-Q198 PolarHBondContact O-N 2.97Å; Q198-I200 VanDerWaalsContact C-N 3.33Å; Q198-I200 PolarHBondContact O-N 2.84Å; Q198-V201 PolarHBondContact O-N 3.37Å; Q198-E202 HydrophobicContact CG-CG 4.31Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.45Å; Q198-E202 PolarHBondContact NE2-OE1 3.16Å; Q198-E202 WeakPolarHBondContact O-CB 3.33Å; Q198-E202 WeakPolarHBondContact O-CG 3.44Å; Q198-E202 PolarHBondContact O-N 3.31Å; Q198-L259 HydrophobicContact CB-CD1 4.39Å; Q198-L259 HydrophobicContact CB-CD2 3.85Å; Q198-L259 HydrophobicContact CG-CD2 4.01Å
199	K	94.2	Very high	90.9	Very high	97 Å²	97	55.8 Å²	55.8	42%	0.422	27%	0.265	S	S	.	.	H	α-helix	trans	-58.9	-41.9	-179.3	-76.4	177.5	-175.8	-179.5	0	113.1	Q195 R196 L197 Y203 T428	Q195-K199 WeakPolarHBondContact O-CB 3.33Å; Q195-K199 VanDerWaalsContact O-CG 3.27Å; Q195-K199 WeakPolarHBondContact O-CG 3.43Å; Q195-K199 PolarHBondContact O-N 3.44Å; Q195-K199 VanDerWaalsContact O-N 3.12Å; R196-K199 PolarHBondContact O-N 3.28Å; L197-K199 PolarHBondContact O-N 3.45Å; K199-Y203 VanDerWaalsContact O-CA 3.32Å; K199-Y203 WeakPolarHBondContact O-CA 3.22Å; K199-Y203 VanDerWaalsContact O-CB 3.3Å; K199-Y203 WeakPolarHBondContact O-CB 3.37Å; K199-Y203 PolarHBondContact O-N 3.04Å; K199-T428 HydrophobicContact CB-CG2 4.32Å
200	I	95.4	Very high	91.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-78.4	-32.7	-177.8	-62.9	170.8	0	0	0	111.6	I184 R196 L197 Q198 Y203 L204 I425 T428	I184-I200 HydrophobicContact CB-CD1 4.3Å; I184-I200 HydrophobicContact CD1-CB 4.31Å; I184-I200 HydrophobicContact CD1-CG2 4Å; I184-I200 HydrophobicContact CG1-CB 4.24Å; I184-I200 HydrophobicContact CG1-CD1 3.92Å; I184-I200 HydrophobicContact CG1-CG2 3.8Å; I184-I200 HydrophobicContact CG2-CD1 4.21Å; R196-I200 WeakPolarHBondContact O-CG1 3.18Å; R196-I200 PolarHBondContact O-N 2.7Å; L197-I200 PolarHBondContact O-N 2.92Å; Q198-I200 VanDerWaalsContact C-N 3.33Å; Q198-I200 PolarHBondContact O-N 2.84Å; I200-Y203 VanDerWaalsContact O-CA 3.23Å; I200-Y203 WeakPolarHBondContact O-CA 3.43Å; I200-L204 HydrophobicContact CG2-CD1 4.03Å; I200-L204 HydrophobicContact CG2-CG 4.33Å; I200-L204 VanDerWaalsContact O-CG 3.27Å; I200-L204 WeakPolarHBondContact O-CG 3.42Å; I200-L204 PolarHBondContact O-N 3.24Å; I200-I425 HydrophobicContact CD1-CD1 3.79Å; I200-I425 HydrophobicContact CG1-CD1 3.97Å; I200-T428 HydrophobicContact CG1-CG2 4.31Å
201	V	95.4	Very high	91.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-68.6	-50.5	174.7	173.4	0	0	0	0	110.3	L197 Q198 Y203 L204 L205 L213 L256 L259 I260	L197-V201 WeakPolarHBondContact O-CB 3.49Å; L197-V201 VanDerWaalsContact O-CG2 3.29Å; L197-V201 WeakPolarHBondContact O-CG2 3.48Å; L197-V201 PolarHBondContact O-N 3.2Å; Q198-V201 PolarHBondContact O-N 3.37Å; V201-Y203 VanDerWaalsContact C-N 3.32Å; V201-Y203 PolarHBondContact O-N 2.88Å; V201-L204 PolarHBondContact O-N 2.83Å; V201-L204 VanDerWaalsContact O-N 3.12Å; V201-L205 HydrophobicContact CG1-CD1 3.88Å; V201-L205 HydrophobicContact CG1-CG 4.31Å; V201-L205 WeakPolarHBondContact O-CG 3.03Å; V201-L205 PolarHBondContact O-N 3.27Å; V201-L213 HydrophobicContact CG2-CD1 4.29Å; V201-L256 HydrophobicContact CG2-CD2 4.49Å; V201-L259 HydrophobicContact CB-CB 4.37Å; V201-L259 HydrophobicContact CG1-CB 4.12Å; V201-L259 WeakPolarHBondContact CG1-O 3.1Å; V201-L259 HydrophobicContact CG2-CB 4.41Å; V201-I260 HydrophobicContact CG1-CG1 3.92Å
202	E	94.6	Very high	92.1	Very high	81 Å²	81	44.2 Å²	44.2	38%	0.379	21%	0.208	S	C	.	.	H	α-helix	trans	-58.3	-46.3	173.9	-71.1	177.1	-167.5	0	0	111.6	Q198 K206	Q198-E202 HydrophobicContact CG-CG 4.31Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.45Å; Q198-E202 PolarHBondContact NE2-OE1 3.16Å; Q198-E202 WeakPolarHBondContact O-CB 3.33Å; Q198-E202 WeakPolarHBondContact O-CG 3.44Å; Q198-E202 PolarHBondContact O-N 3.31Å; E202-K206 WeakPolarHBondContact O-CB 3.07Å; E202-K206 VanDerWaalsContact O-CG 3.31Å; E202-K206 WeakPolarHBondContact O-CG 3.33Å; E202-K206 PolarHBondContact O-N 3.18Å
203	Y	95	Very high	92.6	Very high	5 Å²	5	42 Å²	42	2%	0.02	20%	0.195	C	C	.	.	H	α-helix	trans	-7.8	-91.9	144.9	-174.6	-39.6	0	0	0	115.9	P87 S182 K199 I200 V201 K206 V207 A427 T428 I431	P87-Y203 HydrophobicContact CB-CE2 4.4Å; S182-Y203 WeakPolarHBondContact OG-CE1 3.3Å; K199-Y203 VanDerWaalsContact O-CA 3.32Å; K199-Y203 WeakPolarHBondContact O-CA 3.22Å; K199-Y203 VanDerWaalsContact O-CB 3.3Å; K199-Y203 WeakPolarHBondContact O-CB 3.37Å; K199-Y203 PolarHBondContact O-N 3.04Å; I200-Y203 VanDerWaalsContact O-CA 3.23Å; I200-Y203 WeakPolarHBondContact O-CA 3.43Å; V201-Y203 VanDerWaalsContact C-N 3.32Å; V201-Y203 PolarHBondContact O-N 2.88Å; Y203-K206 PolarHBondContact O-N 3.06Å; Y203-V207 HydrophobicContact CD1-CG2 4.08Å; Y203-V207 HydrophobicContact CD2-CG2 4.48Å; Y203-V207 HydrophobicContact CE1-CG2 3.72Å; Y203-V207 HydrophobicContact CE2-CG1 4.17Å; Y203-V207 HydrophobicContact CE2-CG2 4.12Å; Y203-V207 HydrophobicContact CG-CG2 4.41Å; Y203-V207 VanDerWaalsContact O-CG2 3.3Å; Y203-V207 WeakPolarHBondContact O-CG2 3.33Å; Y203-V207 PolarHBondContact O-N 2.95Å; Y203-A427 HydrophobicContact CE2-CB 4.44Å; Y203-T428 HydrophobicContact CD2-CG2 4.32Å; Y203-T428 HydrophobicContact CG-CG2 3.99Å; Y203-I431 HydrophobicContact CD2-CD1 3.08Å; Y203-I431 HydrophobicContact CD2-CG1 3.59Å; Y203-I431 HydrophobicContact CE2-CD1 3.73Å; Y203-I431 HydrophobicContact CE2-CG1 4.04Å; Y203-I431 HydrophobicContact CG-CD1 3.64Å; Y203-I431 WeakPolarHBondContact O-CD1 3.33Å
204	L	94.2	Very high	92.9	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-40.4	-170.3	-66.5	169.2	0	0	0	111.9	K161 I200 V201 K206 V207 K208 Q209 C211	K161-L204 HydrophobicContact CG-CD1 4.1Å; I200-L204 HydrophobicContact CG2-CD1 4.03Å; I200-L204 HydrophobicContact CG2-CG 4.33Å; I200-L204 VanDerWaalsContact O-CG 3.27Å; I200-L204 WeakPolarHBondContact O-CG 3.42Å; I200-L204 PolarHBondContact O-N 3.24Å; V201-L204 PolarHBondContact O-N 2.83Å; V201-L204 VanDerWaalsContact O-N 3.12Å; L204-K206 PolarHBondContact O-N 3.08Å; L204-V207 PolarHBondContact O-N 3.38Å; L204-K208 HydrophobicContact CD2-CD 4.27Å; L204-K208 WeakPolarHBondContact O-CA 3.48Å; L204-K208 VanDerWaalsContact O-CB 3.31Å; L204-K208 WeakPolarHBondContact O-CB 3.1Å; L204-K208 PolarHBondContact O-N 2.87Å; L204-Q209 PolarHBondContact O-N 3.23Å; L204-C211 HydrophobicContact CB-CB 4.42Å
205	L	92.7	Very high	93.2	Very high	32 Å²	32	39.6 Å²	39.6	17%	0.168	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-36.7	176.8	-68.1	176.6	0	0	0	111.7	V201 Q209 C211 N264	V201-L205 HydrophobicContact CG1-CD1 3.88Å; V201-L205 HydrophobicContact CG1-CG 4.31Å; V201-L205 WeakPolarHBondContact O-CG 3.03Å; V201-L205 PolarHBondContact O-N 3.27Å; L205-Q209 WeakPolarHBondContact O-CA 3.5Å; L205-Q209 PolarHBondContact O-N 2.83Å; L205-C211 HydrophobicContact CD2-CB 3.87Å; L205-C211 HydrophobicContact CG-CB 4.28Å; L205-N264 HydrophobicContact CD2-CB 4.2Å
206	K	92.4	Very high	93.5	Very high	117 Å²	117	35.3 Å²	35.3	51%	0.509	16%	0.163	S	C	.	.	H	α-helix	trans	-75.9	-41.8	178.3	-73.1	174.5	-178.5	172.1	0	113.7	E202 Y203 L204 I431	E202-K206 WeakPolarHBondContact O-CB 3.07Å; E202-K206 VanDerWaalsContact O-CG 3.31Å; E202-K206 WeakPolarHBondContact O-CG 3.33Å; E202-K206 PolarHBondContact O-N 3.18Å; Y203-K206 PolarHBondContact O-N 3.06Å; L204-K206 PolarHBondContact O-N 3.08Å; K206-I431 HydrophobicContact CB-CD1 3.92Å; K206-I431 HydrophobicContact CB-CG2 4.17Å; K206-I431 HydrophobicContact CD-CG2 3.46Å; K206-I431 VanDerWaalsContact CD-CG2 3.46Å; K206-I431 HydrophobicContact CG-CG2 4.44Å
207	V	91.8	Very high	93.7	Very high	16 Å²	16	34.9 Å²	34.9	10%	0.097	16%	0.162	C	C	.	.	H	α-helix	trans	-90.2	-20.6	-176.5	-73	0	0	0	0	115	P87 V88 R91 Y203 L204 I431	P87-V207 HydrophobicContact CB-CG1 3.88Å; V88-V207 HydrophobicContact CG2-CB 4.37Å; V88-V207 HydrophobicContact CG2-CG1 4.01Å; R91-V207 HydrophobicContact CB-CB 4.29Å; R91-V207 HydrophobicContact CB-CG2 3.99Å; R91-V207 HydrophobicContact CG-CB 4.5Å; R91-V207 HydrophobicContact CG-CG2 3.81Å; Y203-V207 HydrophobicContact CD1-CG2 4.08Å; Y203-V207 HydrophobicContact CD2-CG2 4.48Å; Y203-V207 HydrophobicContact CE1-CG2 3.72Å; Y203-V207 HydrophobicContact CE2-CG1 4.17Å; Y203-V207 HydrophobicContact CE2-CG2 4.12Å; Y203-V207 HydrophobicContact CG-CG2 4.41Å; Y203-V207 VanDerWaalsContact O-CG2 3.3Å; Y203-V207 WeakPolarHBondContact O-CG2 3.33Å; Y203-V207 PolarHBondContact O-N 2.95Å; L204-V207 PolarHBondContact O-N 3.38Å; V207-I431 HydrophobicContact CB-CD1 4.46Å; V207-I431 HydrophobicContact CG1-CD1 3.42Å; V207-I431 VanDerWaalsContact CG1-CD1 3.42Å; V207-I431 HydrophobicContact CG1-CG1 4.02Å; V207-I431 HydrophobicContact CG2-CD1 4.5Å
208	K	88.1	Confident	93.8	Very high	80 Å²	80	34.3 Å²	34.3	35%	0.348	16%	0.159	S	C	.	.	H	α-helix	trans	-122.9	-10.4	-178.1	-62.8	-165.5	65.2	167.3	0	114.2	R91 D95 L204 S210	R91-K208 HydrophobicContact CG-CD 3.79Å; R91-K208 HydrophobicContact CG-CG 3.6Å; D95-K208 VanDerWaalsContact OD2-CD 3.3Å; D95-K208 WeakPolarHBondContact OD2-CD 3.45Å; D95-K208 VanDerWaalsContact OD2-CE 3.27Å; D95-K208 WeakPolarHBondContact OD2-CE 3.42Å; D95-K208 IonicContact OD2-NZ 3.79Å; D95-K208 PolarHBondContact OD2-NZ 3.49Å; L204-K208 HydrophobicContact CD2-CD 4.27Å; L204-K208 WeakPolarHBondContact O-CA 3.48Å; L204-K208 VanDerWaalsContact O-CB 3.31Å; L204-K208 WeakPolarHBondContact O-CB 3.1Å; L204-K208 PolarHBondContact O-N 2.87Å; K208-S210 PolarHBondContact O-N 2.92Å; K208-S210 PolarHBondContact O-OG 3.19Å
209	Q	86.6	Confident	93.7	Very high	114 Å²	114	31.4 Å²	31.4	53%	0.533	15%	0.153	S	C	.	.	S	Bend	trans	57.3	18.6	-173.9	-63.2	-179.4	2	0	0	113.7	H132 L204 L205	H132-Q209 PolarHBondContact CE1-OE1 2.6Å; H132-Q209 PolarHBondContact ND1-O 3.41Å; H132-Q209 VanDerWaalsContact ND1-O 3.08Å; L204-Q209 PolarHBondContact O-N 3.23Å; L205-Q209 WeakPolarHBondContact O-CA 3.5Å; L205-Q209 PolarHBondContact O-N 2.83Å
210	S	89.3	Confident	93.7	Very high	9 Å²	9	28.4 Å²	28.4	6%	0.063	14%	0.142	C	C	.	.			trans	-155.7	148.4	-176	52	0	0	0	0	110.6	H133 K208	H133-S210 VanDerWaalsContact O-CB 3.27Å; H133-S210 WeakPolarHBondContact O-CB 3.19Å; K208-S210 PolarHBondContact O-N 2.92Å; K208-S210 PolarHBondContact O-OG 3.19Å
211	C	92.4	Very high	93.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	15%	0.148	C	C	.	.			trans	-140.1	103.4	176.5	-174.9	0	0	0	0	110.6	S134 C135 L204 L205 I260	S134-C211 WeakPolarHBondContact CA-O 3.38Å; S134-C211 VanDerWaalsContact CB-O 3.26Å; S134-C211 WeakPolarHBondContact CB-O 3.45Å; S134-C211 PolarHBondContact OG-N 3.45Å; C135-C211 PolarHBondContact N-O 2.87Å; L204-C211 HydrophobicContact CB-CB 4.42Å; L205-C211 HydrophobicContact CD2-CB 3.87Å; L205-C211 HydrophobicContact CG-CB 4.28Å; C211-I260 HydrophobicContact CB-CG1 4.44Å
212	Q	94.4	Very high	93.6	Very high	23 Å²	23	30 Å²	30	11%	0.107	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.4	179.6	-57	173.7	7.1	0	0	109.7	C135 M160 K161	C135-Q212 WeakPolarHBondContact O-CA 3.46Å; M160-Q212 HydrophobicContact CB-CB 4.47Å; M160-Q212 HydrophobicContact CG-CB 3.98Å; K161-Q212 PolarHBondContact N-O 3.28Å
213	L	96.5	Very high	93.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.1	-173.4	-53.9	177.5	0	0	0	111.6	C135 L136 F137 K161 I163 I184 V201 L256 I260	C135-L213 PolarHBondContact O-N 3.49Å; L136-L213 HydrophobicContact CD2-CB 3.85Å; L136-L213 HydrophobicContact CD2-CD1 4.22Å; L136-L213 HydrophobicContact CD2-CG 4.39Å; F137-L213 PolarHBondContact N-O 2.98Å; K161-L213 HydrophobicContact CB-CD2 3.83Å; K161-L213 WeakPolarHBondContact O-CA 3.45Å; I163-L213 HydrophobicContact CD1-CD1 4.5Å; I184-L213 HydrophobicContact CD1-CD1 4.4Å; I184-L213 HydrophobicContact CD1-CD2 3.96Å; V201-L213 HydrophobicContact CG2-CD1 4.29Å; L213-L256 HydrophobicContact CD1-CD1 4.27Å; L213-L256 HydrophobicContact CD1-CD2 3.59Å; L213-L256 HydrophobicContact CD1-CG 4.47Å; L213-I260 HydrophobicContact CD1-CD1 4.3Å
214	L	96.7	Very high	93.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.6	170.8	-172.8	161.3	0	0	0	109.6	F137 I139 V150 M160 K161 I162 I163 F216	F137-L214 HydrophobicContact CB-CB 4.23Å; F137-L214 HydrophobicContact CB-CG 4.25Å; F137-L214 WeakPolarHBondContact O-CA 3.26Å; I139-L214 HydrophobicContact CD1-CD1 3.58Å; I139-L214 HydrophobicContact CD1-CD2 4.06Å; I139-L214 HydrophobicContact CD1-CG 3.89Å; I139-L214 HydrophobicContact CG1-CD1 4.4Å; I139-L214 HydrophobicContact CG1-CD2 4.28Å; I139-L214 HydrophobicContact CG1-CG 4.18Å; V150-L214 HydrophobicContact CG1-CD1 3.88Å; V150-L214 HydrophobicContact CG2-CD1 4.32Å; M160-L214 HydrophobicContact CB-CB 4.45Å; K161-L214 PolarHBondContact O-N 3.03Å; I162-L214 HydrophobicContact CG1-CB 4.36Å; I162-L214 HydrophobicContact CG2-CD2 4.18Å; I163-L214 PolarHBondContact N-O 2.91Å; L214-F216 HydrophobicContact CD2-CD2 4.23Å; L214-F216 HydrophobicContact CD2-CE1 4.43Å; L214-F216 HydrophobicContact CD2-CE2 3.59Å; L214-F216 HydrophobicContact CD2-CZ 3.71Å
215	I	96.6	Very high	93.6	Very high	14 Å²	14	36.8 Å²	36.8	7%	0.072	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	158.9	175.8	64.4	164.6	0	0	0	112.6	F137 L138 I139 I163 P217 F253 L256	F137-I215 PolarHBondContact O-N 3.29Å; L138-I215 HydrophobicContact CD2-CD1 3.54Å; L138-I215 HydrophobicContact CD2-CG1 3.36Å; I139-I215 PolarHBondContact N-O 2.85Å; I139-I215 VanDerWaalsContact N-O 3.08Å; I163-I215 HydrophobicContact CB-CG2 4.19Å; I163-I215 HydrophobicContact CD1-CG2 3.5Å; I163-I215 VanDerWaalsContact CD1-CG2 3.5Å; I163-I215 HydrophobicContact CG1-CG2 3.84Å; I215-P217 HydrophobicContact CD1-CG 4.18Å; I215-P217 HydrophobicContact CG1-CG 4.31Å; I215-P217 WeakPolarHBondContact O-CD 3.35Å; I215-F253 HydrophobicContact CD1-CB 4.21Å; I215-F253 HydrophobicContact CD1-CD2 4.49Å; I215-L256 HydrophobicContact CD1-CD1 4.13Å; I215-L256 HydrophobicContact CG2-CD1 3.67Å
216	F	97	Very high	93.8	Very high	28 Å²	28	35.5 Å²	35.5	12%	0.123	18%	0.183	C	C	.	.			trans	-112.7	95.2	170.7	-60.8	-82.7	0	0	0	108.3	I139 H141 D146 W147 L214 E218 G219	I139-F216 HydrophobicContact CB-CD1 4.02Å; I139-F216 HydrophobicContact CB-CE1 3.8Å; I139-F216 HydrophobicContact CG2-CE1 4.2Å; I139-F216 WeakPolarHBondContact O-CD1 3.48Å; H141-F216 HydrophobicContact CB-CB 3.99Å; H141-F216 HydrophobicContact CB-CD1 3.59Å; H141-F216 HydrophobicContact CB-CE1 4.4Å; H141-F216 HydrophobicContact CB-CG 4.03Å; H141-F216 AromaticContact CG-CD1 3.58Å; H141-F216 AromaticContact CG-CG 3.83Å; H141-F216 AromaticContact ND1-CD1 3.66Å; H141-F216 AromaticContact ND1-CE1 3.69Å; D146-F216 HydrophobicContact CB-CE1 3.84Å; D146-F216 HydrophobicContact CB-CZ 4.12Å; W147-F216 HydrophobicContact CB-CE2 4.16Å; W147-F216 HydrophobicContact CB-CZ 4.02Å; L214-F216 HydrophobicContact CD2-CD2 4.23Å; L214-F216 HydrophobicContact CD2-CE1 4.43Å; L214-F216 HydrophobicContact CD2-CE2 3.59Å; L214-F216 HydrophobicContact CD2-CZ 3.71Å; F216-E218 PolarHBondContact O-N 3.05Å; F216-G219 PolarHBondContact O-N 2.69Å
217	P	97	Very high	93.9	Very high	7 Å²	7	30 Å²	30	5%	0.045	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.5	-177.4	-30.7	39.1	0	0	0	114.9	L138 I215 G219 P248 R249 L329 W333	L138-P217 HydrophobicContact CB-CG 4.15Å; L138-P217 HydrophobicContact CD2-CG 4.11Å; I215-P217 HydrophobicContact CD1-CG 4.18Å; I215-P217 HydrophobicContact CG1-CG 4.31Å; I215-P217 WeakPolarHBondContact O-CD 3.35Å; P217-G219 PolarHBondContact O-N 3.05Å; P217-P248 HydrophobicContact CB-CB 3.78Å; P217-R249 PolarHBondContact O-N 2.87Å; P217-L329 HydrophobicContact CB-CD1 4.32Å; P217-L329 HydrophobicContact CB-CD2 4.31Å; P217-L329 HydrophobicContact CG-CD1 4.24Å; P217-W333 HydrophobicContact CB-CH2 3.81Å; P217-W333 HydrophobicContact CB-CZ2 3.99Å; P217-W333 HydrophobicContact CB-CZ3 4.26Å; P217-W333 VanDerWaalsContact CD-CH2 3.48Å; P217-W333 HydrophobicContact CG-CH2 3.39Å; P217-W333 HydrophobicContact CG-CZ2 3.98Å; P217-W333 HydrophobicContact CG-CZ3 3.95Å
218	E	96.1	Very high	94.2	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.023	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-25	172.6	-62.8	-178.4	-143.8	0	0	113.2	N140 H141 F216 T220 L246 W333	N140-E218 VanDerWaalsContact CA-OE1 3.23Å; N140-E218 WeakPolarHBondContact CA-OE1 3.4Å; N140-E218 VanDerWaalsContact CB-OE1 3.25Å; N140-E218 WeakPolarHBondContact CB-OE1 3.47Å; H141-E218 PolarHBondContact N-OE1 3.05Å; H141-E218 VanDerWaalsContact N-OE1 3.11Å; F216-E218 PolarHBondContact O-N 3.05Å; E218-T220 PolarHBondContact O-N 3.12Å; E218-T220 VanDerWaalsContact O-N 3.11Å; E218-L246 HydrophobicContact CB-CB 4.08Å; E218-L246 HydrophobicContact CB-CD1 4.29Å; E218-L246 HydrophobicContact CG-CB 3.93Å; E218-L246 WeakPolarHBondContact CG-O 3.31Å; E218-L246 VanDerWaalsContact OE2-CB 3.3Å; E218-L246 WeakPolarHBondContact OE2-CB 3.38Å; E218-L246 WeakPolarHBondContact OE2-CG 3.33Å; E218-L246 PolarHBondContact OE2-N 3.39Å; E218-L246 VanDerWaalsContact OE2-N 3.13Å; E218-W333 HydrophobicContact CG-CZ2 4.15Å; E218-W333 VanDerWaalsContact CG-NE1 3.29Å; E218-W333 PolarHBondContact OE1-NE1 2.84Å
219	G	91.6	Very high	94.5	Very high	26 Å²	26	35.3 Å²	35.3	27%	0.268	18%	0.179	S	C	.	.	S	Bend	trans	74.2	-8.7	177.3	0	0	0	0	0	115.8	R188 F216 P217	R188-G219 PolarHBondContact NH1-O 2.86Å; R188-G219 PolarHBondContact NH2-O 3.12Å; F216-G219 PolarHBondContact O-N 2.69Å; P217-G219 PolarHBondContact O-N 3.05Å
220	T	93.2	Very high	95	Very high	33 Å²	33	30 Å²	30	20%	0.202	16%	0.155	C	C	.	.	S	Bend	trans	-157.1	160.2	176.7	-172.5	0	0	0	0	109.8	H141 E218 S226 L246	H141-T220 VanDerWaalsContact CD2-C 3.42Å; E218-T220 PolarHBondContact O-N 3.12Å; E218-T220 VanDerWaalsContact O-N 3.11Å; T220-S226 VanDerWaalsContact CG2-CB 3.49Å; T220-L246 HydrophobicContact CG2-CD1 3.67Å
221	N	94.1	Very high	95.4	Very high	25 Å²	25	30.2 Å²	30.2	13%	0.134	16%	0.155	C	C	.	.			trans	-74.3	153.4	175.2	65.1	-50.6	0	0	0	112.2	H141 N223 S226	H141-N221 PolarHBondContact CD2-N 3.44Å; H141-N221 CarbonylContact O-C 3.54Å; H141-N221 VanDerWaalsContact O-CA 3.22Å; H141-N221 WeakPolarHBondContact O-CA 3.27Å; N221-N223 PolarHBondContact O-N 3.4Å; N221-N223 PolarHBondContact O-ND2 3.31Å; N221-N223 VanDerWaalsContact O-ND2 3.11Å; N221-S226 WeakPolarHBondContact O-CB 3.41Å; N221-S226 PolarHBondContact O-OG 2.96Å
222	L	96	Very high	95.6	Very high	10 Å²	10	33 Å²	33	5%	0.052	17%	0.174	C	C	.	.			trans	-70.7	114.8	178.2	176	56.8	0	0	0	112.3	P40 H141 L227 Y244 L246	P40-L222 HydrophobicContact CB-CD1 4.09Å; P40-L222 HydrophobicContact CB-CD2 4.33Å; P40-L222 HydrophobicContact CB-CG 3.9Å; P40-L222 HydrophobicContact CG-CD1 4.14Å; P40-L222 HydrophobicContact CG-CG 4.29Å; H141-L222 PolarHBondContact O-N 2.93Å; L222-L227 HydrophobicContact CD1-CB 4.38Å; L222-L227 HydrophobicContact CD1-CD1 3.93Å; L222-Y244 WeakPolarHBondContact CD2-O 2.97Å; L222-L246 HydrophobicContact CB-CG 4.41Å; L222-L246 HydrophobicContact CD1-CD2 3.56Å; L222-L246 HydrophobicContact CD1-CG 4.03Å
223	N	94.4	Very high	95.6	Very high	54 Å²	54	34.5 Å²	34.5	29%	0.289	18%	0.18	S	C	.	.	S	Bend	trans	-152.3	169	174.8	62.2	71.1	0	0	0	109	N221 K225 S226 L227	N221-N223 PolarHBondContact O-N 3.4Å; N221-N223 PolarHBondContact O-ND2 3.31Å; N221-N223 VanDerWaalsContact O-ND2 3.11Å; N223-K225 VanDerWaalsContact C-N 3.28Å; N223-K225 PolarHBondContact O-N 3.34Å; N223-K225 WeakPolarHBondContact OD1-CB 3.35Å; N223-K225 PolarHBondContact OD1-N 2.95Å; N223-K225 VanDerWaalsContact OD1-N 3.08Å; N223-S226 VanDerWaalsContact CG-OG 3.3Å; N223-S226 PolarHBondContact N-OG 3.08Å; N223-S226 PolarHBondContact ND2-OG 3.3Å; N223-S226 PolarHBondContact O-N 2.89Å; N223-S226 PolarHBondContact O-OG 3.28Å; N223-S226 PolarHBondContact OD1-N 3.18Å; N223-S226 PolarHBondContact OD1-OG 2.93Å; N223-L227 VanDerWaalsContact O-CB 3.22Å; N223-L227 WeakPolarHBondContact O-CB 3.21Å; N223-L227 PolarHBondContact O-N 3.09Å
224	S	94.2	Very high	95.6	Very high	56 Å²	56	34.5 Å²	34.5	39%	0.392	18%	0.18	S	C	.	.	H	α-helix	trans	-55	-40	-176.4	-62.6	0	0	0	0	113.8	C38 L227 E228	C38-S224 PolarHBondContact O-OG 2.95Å; C38-S224 PolarHBondContact SG-O 3.01Å; S224-L227 PolarHBondContact O-N 3.18Å; S224-E228 WeakPolarHBondContact O-CG 3.34Å; S224-E228 PolarHBondContact O-N 3.14Å
225	K	94.8	Very high	95.6	Very high	121 Å²	121	40 Å²	40	53%	0.526	21%	0.205	S	C	.	.	H	α-helix	trans	-71.8	-38.7	-179.7	-175.8	180	-178.6	179.3	0	112.7	N223 L227 R229	N223-K225 VanDerWaalsContact C-N 3.28Å; N223-K225 PolarHBondContact O-N 3.34Å; N223-K225 WeakPolarHBondContact OD1-CB 3.35Å; N223-K225 PolarHBondContact OD1-N 2.95Å; N223-K225 VanDerWaalsContact OD1-N 3.08Å; K225-L227 VanDerWaalsContact C-N 3.32Å; K225-R229 WeakPolarHBondContact O-CG 3.31Å; K225-R229 PolarHBondContact O-N 2.9Å
226	S	95.6	Very high	95.6	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-72.1	-31.1	175	55.8	0	0	0	0	111.8	T220 N221 N223 R229 S230	T220-S226 VanDerWaalsContact CG2-CB 3.49Å; N221-S226 WeakPolarHBondContact O-CB 3.41Å; N221-S226 PolarHBondContact O-OG 2.96Å; N223-S226 VanDerWaalsContact CG-OG 3.3Å; N223-S226 PolarHBondContact N-OG 3.08Å; N223-S226 PolarHBondContact ND2-OG 3.3Å; N223-S226 PolarHBondContact O-N 2.89Å; N223-S226 PolarHBondContact O-OG 3.28Å; N223-S226 PolarHBondContact OD1-N 3.18Å; N223-S226 PolarHBondContact OD1-OG 2.93Å; S226-R229 PolarHBondContact O-N 3.49Å; S226-S230 PolarHBondContact O-N 3.5Å
227	L	96.3	Very high	95.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-44	174	-168.1	63.6	0	0	0	111.9	C38 P40 L222 N223 S224 K225 R229 S230 D231 V242 L246	C38-L227 VanDerWaalsContact SG-CB 3.57Å; C38-L227 VanDerWaalsContact SG-CG 3.52Å; P40-L227 HydrophobicContact CG-CD2 4.22Å; L222-L227 HydrophobicContact CD1-CB 4.38Å; L222-L227 HydrophobicContact CD1-CD1 3.93Å; N223-L227 VanDerWaalsContact O-CB 3.22Å; N223-L227 WeakPolarHBondContact O-CB 3.21Å; N223-L227 PolarHBondContact O-N 3.09Å; S224-L227 PolarHBondContact O-N 3.18Å; K225-L227 VanDerWaalsContact C-N 3.32Å; L227-R229 VanDerWaalsContact C-N 3.27Å; L227-R229 PolarHBondContact O-N 3.31Å; L227-S230 CarbonylContact O-C 3.54Å; L227-S230 WeakPolarHBondContact O-CA 3.49Å; L227-S230 WeakPolarHBondContact O-CB 2.98Å; L227-S230 PolarHBondContact O-N 2.88Å; L227-D231 PolarHBondContact O-N 3.36Å; L227-V242 WeakPolarHBondContact CD1-O 3.43Å; L227-L246 HydrophobicContact CB-CD2 4.27Å; L227-L246 HydrophobicContact CD1-CD2 3.97Å
228	E	96.2	Very high	95.4	Very high	109 Å²	109	55.2 Å²	55.2	51%	0.509	28%	0.283	S	S	.	.	H	α-helix	trans	-55	-44.4	172.6	-74.4	166.4	-165.8	0	0	111.6	C38 S224 S230 D231 S232	C38-E228 HydrophobicContact CB-CG 4.35Å; C38-E228 VanDerWaalsContact SG-CG 3.57Å; C38-E228 PolarHBondContact SG-N 3.42Å; C38-E228 VanDerWaalsContact SG-N 3.36Å; S224-E228 WeakPolarHBondContact O-CG 3.34Å; S224-E228 PolarHBondContact O-N 3.14Å; E228-S230 VanDerWaalsContact C-N 3.31Å; E228-S230 PolarHBondContact O-N 3.45Å; E228-D231 PolarHBondContact O-N 2.94Å; E228-S232 PolarHBondContact O-N 3.24Å; E228-S232 PolarHBondContact O-OG 2.97Å; E228-S232 VanDerWaalsContact O-OG 3.14Å
229	R	95.8	Very high	95.5	Very high	99 Å²	99	56.7 Å²	56.7	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-67.8	-31.8	176.6	-67	172.4	177.1	-179.3	-3.9	112.7	K225 S226 L227 Y233	K225-R229 WeakPolarHBondContact O-CG 3.31Å; K225-R229 PolarHBondContact O-N 2.9Å; S226-R229 PolarHBondContact O-N 3.49Å; L227-R229 VanDerWaalsContact C-N 3.27Å; L227-R229 PolarHBondContact O-N 3.31Å; R229-Y233 PolarHBondContact O-N 2.89Å
230	S	96.8	Very high	95.7	Very high	2 Å²	2	59 Å²	59	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-70	-42.5	174.5	-172.6	0	0	0	0	110.6	S226 L227 E228 Y233 G234 H247	S226-S230 PolarHBondContact O-N 3.5Å; L227-S230 CarbonylContact O-C 3.54Å; L227-S230 WeakPolarHBondContact O-CA 3.49Å; L227-S230 WeakPolarHBondContact O-CB 2.98Å; L227-S230 PolarHBondContact O-N 2.88Å; E228-S230 VanDerWaalsContact C-N 3.31Å; E228-S230 PolarHBondContact O-N 3.45Å; S230-Y233 WeakPolarHBondContact O-CB 3.31Å; S230-Y233 PolarHBondContact O-N 2.86Å; S230-G234 PolarHBondContact O-N 2.72Å; S230-H247 PolarHBondContact OG-N 2.88Å
231	D	96.9	Very high	95.8	Very high	15 Å²	15	62.5 Å²	62.5	8%	0.08	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-47.8	176.2	-75.4	1.3	0	0	0	110.5	L227 E228 Y233 G234 E235 Y241 R243	L227-D231 PolarHBondContact O-N 3.36Å; E228-D231 PolarHBondContact O-N 2.94Å; D231-Y233 VanDerWaalsContact C-N 3.29Å; D231-Y233 PolarHBondContact O-N 3.03Å; D231-G234 WeakPolarHBondContact O-CA 3.28Å; D231-G234 PolarHBondContact O-N 3.42Å; D231-E235 WeakPolarHBondContact O-CG 3.48Å; D231-E235 PolarHBondContact O-N 3.02Å; D231-Y241 HydrophobicContact CB-CD1 3.89Å; D231-Y241 HydrophobicContact CB-CE1 3.83Å; D231-Y241 VanDerWaalsContact CG-CD1 3.45Å; D231-Y241 WeakPolarHBondContact OD1-CD1 3.29Å; D231-R243 IonicContact OD1-CZ 3Å; D231-R243 IonicContact OD1-NH1 3.82Å; D231-R243 PolarHBondContact OD1-NH1 3.41Å; D231-R243 IonicContact OD1-NH2 2.67Å; D231-R243 IonicContact OD2-CZ 2.77Å; D231-R243 IonicContact OD2-NH1 3.28Å; D231-R243 PolarHBondContact OD2-NH1 2.97Å; D231-R243 VanDerWaalsContact OD2-NH1 3.17Å; D231-R243 IonicContact OD2-NH2 2.92Å; D231-R243 PolarHBondContact OD2-NH2 2.94Å
232	S	96.7	Very high	95.9	Very high	58 Å²	58	61.4 Å²	61.4	41%	0.406	31%	0.306	S	S	.	.	H	α-helix	trans	-59.5	-38.1	175.1	-56.6	0	0	0	0	113.1	E228 Q236	E228-S232 PolarHBondContact O-N 3.24Å; E228-S232 PolarHBondContact O-OG 2.97Å; E228-S232 VanDerWaalsContact O-OG 3.14Å; S232-Q236 VanDerWaalsContact O-CG 3.23Å; S232-Q236 WeakPolarHBondContact O-CG 3.48Å; S232-Q236 PolarHBondContact O-N 2.93Å
233	Y	95.7	Very high	96	Very high	55 Å²	55	62.1 Å²	62.1	22%	0.216	31%	0.308	C	S	.	.	H	α-helix	trans	-68.2	-40	173.8	173.2	-89.2	0	0	0	111.7	R229 S230 D231 Q236 N237 L239 H247 R249	R229-Y233 PolarHBondContact O-N 2.89Å; S230-Y233 WeakPolarHBondContact O-CB 3.31Å; S230-Y233 PolarHBondContact O-N 2.86Å; D231-Y233 VanDerWaalsContact C-N 3.29Å; D231-Y233 PolarHBondContact O-N 3.03Å; Y233-Q236 PolarHBondContact O-N 3.24Å; Y233-N237 WeakPolarHBondContact CD2-ND2 3.47Å; Y233-N237 WeakPolarHBondContact CE2-ND2 3.4Å; Y233-N237 WeakPolarHBondContact O-CB 3.38Å; Y233-N237 PolarHBondContact O-N 3.04Å; Y233-N237 VanDerWaalsContact O-N 3.1Å; Y233-N237 PolarHBondContact O-ND2 3.08Å; Y233-L239 HydrophobicContact CD1-CD1 4.14Å; Y233-L239 HydrophobicContact CE1-CD1 3.63Å; Y233-H247 HydrophobicContact CD1-CB 3.81Å; Y233-H247 AromaticContact CD1-CD2 3.98Å; Y233-H247 HydrophobicContact CE1-CB 3.93Å; Y233-R249 VanDerWaalsContact CD2-CZ 3.41Å; Y233-R249 VanDerWaalsContact CG-NH1 3.3Å
234	G	96.1	Very high	96.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-46.4	178	0	0	0	0	0	111.4	S230 D231 Q236 N237 N238 L239	S230-G234 PolarHBondContact O-N 2.72Å; D231-G234 WeakPolarHBondContact O-CA 3.28Å; D231-G234 PolarHBondContact O-N 3.42Å; G234-Q236 PolarHBondContact O-N 3.49Å; G234-N237 CarbonylContact O-C 3.57Å; G234-N237 PolarHBondContact O-N 2.93Å; G234-N237 VanDerWaalsContact O-N 3.16Å; G234-N238 WeakPolarHBondContact O-CA 3.38Å; G234-N238 PolarHBondContact O-N 3.1Å; G234-L239 PolarHBondContact O-N 3.47Å
235	E	96	Very high	96.3	Very high	116 Å²	116	58.7 Å²	58.7	54%	0.542	28%	0.282	S	S	.	.	H	α-helix	trans	-57.4	-45.9	174.4	-71	173.5	-179.2	0	0	112.3	D231 N237 N238 Y241	D231-E235 WeakPolarHBondContact O-CG 3.48Å; D231-E235 PolarHBondContact O-N 3.02Å; E235-N237 PolarHBondContact O-N 3.3Å; E235-N238 PolarHBondContact O-N 2.73Å; E235-Y241 HydrophobicContact CG-CE1 4.13Å; E235-Y241 PolarHBondContact OE1-OH 3.28Å
236	Q	96.5	Very high	96.5	Very high	150 Å²	150	53.2 Å²	53.2	70%	0.701	26%	0.259	S	S	*	.	H	α-helix	trans	-64.7	-27.6	179.1	-73.6	170.8	9.5	0	0	113.4	S232 Y233 G234	S232-Q236 VanDerWaalsContact O-CG 3.23Å; S232-Q236 WeakPolarHBondContact O-CG 3.48Å; S232-Q236 PolarHBondContact O-N 2.93Å; Y233-Q236 PolarHBondContact O-N 3.24Å; G234-Q236 PolarHBondContact O-N 3.49Å
237	N	95.2	Very high	96.6	Very high	79 Å²	79	53 Å²	53	42%	0.422	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	11.2	-175.4	-65.6	-85.3	0	0	0	113.2	Y233 G234 E235 L239	Y233-N237 WeakPolarHBondContact CD2-ND2 3.47Å; Y233-N237 WeakPolarHBondContact CE2-ND2 3.4Å; Y233-N237 WeakPolarHBondContact O-CB 3.38Å; Y233-N237 PolarHBondContact O-N 3.04Å; Y233-N237 VanDerWaalsContact O-N 3.1Å; Y233-N237 PolarHBondContact O-ND2 3.08Å; G234-N237 CarbonylContact O-C 3.57Å; G234-N237 PolarHBondContact O-N 2.93Å; G234-N237 VanDerWaalsContact O-N 3.16Å; E235-N237 PolarHBondContact O-N 3.3Å; N237-L239 VanDerWaalsContact C-N 3.26Å; N237-L239 HydrophobicContact CB-CD1 3.94Å; N237-L239 HydrophobicContact CB-CG 4.06Å; N237-L239 PolarHBondContact O-N 3.11Å
238	N	95.6	Very high	96.7	Very high	141 Å²	141	53.1 Å²	53.1	75%	0.754	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	39.2	-176.3	-56.6	-64.7	0	0	0	114	G234 E235	G234-N238 WeakPolarHBondContact O-CA 3.38Å; G234-N238 PolarHBondContact O-N 3.1Å; E235-N238 PolarHBondContact O-N 2.73Å
239	L	96.6	Very high	96.6	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.188	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-98.8	150.1	176.3	-59.2	167.5	0	0	0	110.5	Y233 G234 N237 Q330	Y233-L239 HydrophobicContact CD1-CD1 4.14Å; Y233-L239 HydrophobicContact CE1-CD1 3.63Å; G234-L239 PolarHBondContact O-N 3.47Å; N237-L239 VanDerWaalsContact C-N 3.26Å; N237-L239 HydrophobicContact CB-CD1 3.94Å; N237-L239 HydrophobicContact CB-CG 4.06Å; N237-L239 PolarHBondContact O-N 3.11Å; L239-Q330 HydrophobicContact CD1-CG 4.42Å; L239-Q330 HydrophobicContact CD2-CG 3.96Å
240	P	96.3	Very high	96.5	Very high	74 Å²	74	45.9 Å²	45.9	48%	0.481	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-69.8	152.2	178.2	30.8	-36.6	0	0	0	111.4	V242 H247 L334	P240-V242 PolarHBondContact O-N 2.84Å; P240-H247 PolarHBondContact O-CE1 3.05Å; P240-H247 PolarHBondContact O-NE2 2.83Å; P240-L334 HydrophobicContact CG-CD1 4.5Å; P240-L334 HydrophobicContact CG-CD2 3.68Å
241	Y	95.9	Very high	96.2	Very high	107 Å²	107	47.1 Å²	47.1	42%	0.42	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-62	132.4	171.4	-63.7	-56.7	0	0	0	111.6	D231 E235	D231-Y241 HydrophobicContact CB-CD1 3.89Å; D231-Y241 HydrophobicContact CB-CE1 3.83Å; D231-Y241 VanDerWaalsContact CG-CD1 3.45Å; D231-Y241 WeakPolarHBondContact OD1-CD1 3.29Å; E235-Y241 HydrophobicContact CG-CE1 4.13Å; E235-Y241 PolarHBondContact OE1-OH 3.28Å
242	V	97	Very high	95.9	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	25%	0.246	C	C	.	.			trans	-110.1	151.5	175.3	-66.6	0	0	0	0	109.8	L227 P240 T245 L334 E337	L227-V242 WeakPolarHBondContact CD1-O 3.43Å; P240-V242 PolarHBondContact O-N 2.84Å; V242-T245 VanDerWaalsContact CG2-O 3.29Å; V242-T245 WeakPolarHBondContact CG2-O 3.42Å; V242-L334 HydrophobicContact CG1-CD2 4.27Å; V242-E337 HydrophobicContact CB-CG 4.23Å; V242-E337 HydrophobicContact CG1-CB 4.35Å; V242-E337 HydrophobicContact CG1-CG 3.98Å
243	R	97.4	Very high	95.8	Very high	25 Å²	25	44.9 Å²	44.9	9%	0.094	23%	0.227	C	C	.	.	S	Bend	trans	-135.4	-22.9	-177.9	-63.5	-64.7	177.6	-100.7	11	113.3	S36 P37 Q41 D231 E337	S36-R243 PolarHBondContact O-NH2 3.39Å; P37-R243 PolarHBondContact O-NE 3.07Å; Q41-R243 HydrophobicContact CB-CB 4.1Å; Q41-R243 HydrophobicContact CG-CB 3.85Å; Q41-R243 PolarHBondContact N-O 2.84Å; D231-R243 IonicContact OD1-CZ 3Å; D231-R243 IonicContact OD1-NH1 3.82Å; D231-R243 PolarHBondContact OD1-NH1 3.41Å; D231-R243 IonicContact OD1-NH2 2.67Å; D231-R243 IonicContact OD2-CZ 2.77Å; D231-R243 IonicContact OD2-NH1 3.28Å; D231-R243 PolarHBondContact OD2-NH1 2.97Å; D231-R243 VanDerWaalsContact OD2-NH1 3.17Å; D231-R243 IonicContact OD2-NH2 2.92Å; D231-R243 PolarHBondContact OD2-NH2 2.94Å; R243-E337 PolarHBondContact N-OE1 3.16Å
244	Y	97.8	Very high	95.8	Very high	37 Å²	37	43.4 Å²	43.4	15%	0.145	22%	0.222	C	C	.	.	S	Bend	trans	-94.9	-16.8	176.1	-65	-92.1	0	0	0	113.2	Q41 P42 L222 E337 L340 K341 Y344	Q41-Y244 VanDerWaalsContact C-CD1 3.44Å; Q41-Y244 HydrophobicContact CB-CD1 3.79Å; Q41-Y244 HydrophobicContact CB-CD2 4Å; Q41-Y244 HydrophobicContact CB-CE1 3.5Å; Q41-Y244 VanDerWaalsContact CB-CE1 3.5Å; Q41-Y244 HydrophobicContact CB-CE2 3.69Å; Q41-Y244 HydrophobicContact CB-CG 4.05Å; Q41-Y244 VanDerWaalsContact CB-CZ 3.44Å; Q41-Y244 HydrophobicContact CG-CE2 4.39Å; Q41-Y244 WeakPolarHBondContact O-CD1 3.36Å; P42-Y244 HydrophobicContact CB-CE1 4.31Å; L222-Y244 WeakPolarHBondContact CD2-O 2.97Å; Y244-E337 WeakPolarHBondContact CA-OE2 3.28Å; Y244-E337 WeakPolarHBondContact CB-OE2 3.4Å; Y244-E337 WeakPolarHBondContact CD2-OE1 3.31Å; Y244-E337 VanDerWaalsContact N-CD 3.35Å; Y244-E337 PolarHBondContact N-OE1 3.4Å; Y244-E337 PolarHBondContact N-OE2 3.42Å; Y244-L340 HydrophobicContact CD1-CB 4.16Å; Y244-L340 HydrophobicContact CG-CB 4.08Å; Y244-K341 HydrophobicContact CD2-CB 3.91Å; Y244-K341 HydrophobicContact CD2-CG 4.47Å; Y244-K341 HydrophobicContact CE2-CB 3.6Å; Y244-K341 HydrophobicContact CE2-CD 4.42Å; Y244-K341 HydrophobicContact CE2-CG 3.73Å; Y244-Y344 AromaticContact CD1-CD2 3.5Å; Y244-Y344 HydrophobicContact CD1-CD2 3.5Å; Y244-Y344 VanDerWaalsContact CD1-CD2 3.5Å; Y244-Y344 HydrophobicContact CD1-CE2 4.05Å; Y244-Y344 HydrophobicContact CD1-CG 4.46Å; Y244-Y344 AromaticContact CE1-CD2 3.55Å; Y244-Y344 HydrophobicContact CE1-CD2 3.55Å; Y244-Y344 HydrophobicContact CE1-CE2 4.48Å; Y244-Y344 HydrophobicContact CE1-CG 4.08Å
245	T	97.9	Very high	95.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	23%	0.229	C	C	.	.	S	Bend	trans	-135.5	178.7	176.7	61.9	0	0	0	0	111	N140 V242 K336 E337 L340	N140-T245 HydrophobicContact CB-CG2 4.33Å; V242-T245 VanDerWaalsContact CG2-O 3.29Å; V242-T245 WeakPolarHBondContact CG2-O 3.42Å; T245-K336 HydrophobicContact CG2-CB 4.29Å; T245-E337 PolarHBondContact N-OE2 2.84Å; T245-E337 PolarHBondContact OG1-OE2 2.96Å; T245-L340 HydrophobicContact CG2-CD1 3.71Å
246	L	98.1	Very high	95.6	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	20%	0.204	C	C	.	.			trans	-111	155	161.8	-55.7	171.7	0	0	0	109.3	E218 T220 L222 L227 W333	E218-L246 HydrophobicContact CB-CB 4.08Å; E218-L246 HydrophobicContact CB-CD1 4.29Å; E218-L246 HydrophobicContact CG-CB 3.93Å; E218-L246 WeakPolarHBondContact CG-O 3.31Å; E218-L246 VanDerWaalsContact OE2-CB 3.3Å; E218-L246 WeakPolarHBondContact OE2-CB 3.38Å; E218-L246 WeakPolarHBondContact OE2-CG 3.33Å; E218-L246 PolarHBondContact OE2-N 3.39Å; E218-L246 VanDerWaalsContact OE2-N 3.13Å; T220-L246 HydrophobicContact CG2-CD1 3.67Å; L222-L246 HydrophobicContact CB-CG 4.41Å; L222-L246 HydrophobicContact CD1-CD2 3.56Å; L222-L246 HydrophobicContact CD1-CG 4.03Å; L227-L246 HydrophobicContact CB-CD2 4.27Å; L227-L246 HydrophobicContact CD1-CD2 3.97Å; L246-W333 PolarHBondContact O-NE1 2.98Å
247	H	98.1	Very high	95.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.17	C	C	.	.			trans	-60.8	135.6	172	-71.8	-49	0	0	0	111	S230 Y233 P240 R249 Q330	S230-H247 PolarHBondContact OG-N 2.88Å; Y233-H247 HydrophobicContact CD1-CB 3.81Å; Y233-H247 AromaticContact CD1-CD2 3.98Å; Y233-H247 HydrophobicContact CE1-CB 3.93Å; P240-H247 PolarHBondContact O-CE1 3.05Å; P240-H247 PolarHBondContact O-NE2 2.83Å; H247-R249 PolarHBondContact O-NH1 2.88Å; H247-Q330 PolarHBondContact ND1-NE2 3.35Å; H247-Q330 VanDerWaalsContact ND1-NE2 3.15Å
248	P	97.8	Very high	95.5	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.019	17%	0.173	C	C	.	.			trans	-70.5	163.4	179.6	31.7	-34.6	0	0	0	110.7	P217 L329 W333	P217-P248 HydrophobicContact CB-CB 3.78Å; P248-L329 HydrophobicContact CB-CD1 4.5Å; P248-L329 HydrophobicContact CB-CD2 4.06Å; P248-L329 HydrophobicContact CB-CG 3.97Å; P248-L329 HydrophobicContact CG-CD2 4.5Å; P248-L329 HydrophobicContact CG-CG 4.04Å; P248-W333 HydrophobicContact CB-CD2 3.83Å; P248-W333 HydrophobicContact CB-CE3 4.12Å; P248-W333 HydrophobicContact CB-CG 4.05Å; P248-W333 HydrophobicContact CG-CB 3.77Å; P248-W333 HydrophobicContact CG-CD2 3.92Å; P248-W333 HydrophobicContact CG-CE3 4.22Å; P248-W333 HydrophobicContact CG-CG 3.72Å
249	R	94.3	Very high	95.4	Very high	29 Å²	29	28.8 Å²	28.8	11%	0.109	15%	0.146	C	C	.	.			trans	-118.2	115.3	171.9	-59.7	-63.7	176.5	-103.9	1.2	108.6	P217 Y233 H247 T251	P217-R249 PolarHBondContact O-N 2.87Å; Y233-R249 VanDerWaalsContact CD2-CZ 3.41Å; Y233-R249 VanDerWaalsContact CG-NH1 3.3Å; H247-R249 PolarHBondContact O-NH1 2.88Å; R249-T251 VanDerWaalsContact C-N 3.35Å; R249-T251 PolarHBondContact O-N 3.21Å
250	S	93.3	Very high	95.3	Very high	28 Å²	28	27.2 Å²	27.2	20%	0.196	14%	0.138	C	C	.	.	H	α-helix	trans	-72.7	-25.3	-172.8	59.7	0	0	0	0	113.5	G252 F253 L254 S326	S250-G252 PolarHBondContact O-N 3.24Å; S250-F253 WeakPolarHBondContact O-CB 3.21Å; S250-F253 PolarHBondContact O-N 3Å; S250-F253 VanDerWaalsContact O-N 3.08Å; S250-L254 WeakPolarHBondContact O-CG 3.31Å; S250-L254 PolarHBondContact O-N 2.86Å; S250-S326 VanDerWaalsContact CB-OG 3.25Å; S250-S326 WeakPolarHBondContact CB-OG 3.45Å; S250-S326 PolarHBondContact OG-OG 3.08Å
251	T	91	Very high	95	Very high	28 Å²	28	24.6 Å²	24.6	17%	0.172	12%	0.124	C	C	.	.	H	α-helix	trans	-54.6	-46	-172.8	-51.5	0	0	0	0	113.7	R249 H255 H473 S474	R249-T251 VanDerWaalsContact C-N 3.35Å; R249-T251 PolarHBondContact O-N 3.21Å; T251-H255 WeakPolarHBondContact O-CB 3.32Å; T251-H255 PolarHBondContact O-N 2.87Å; T251-H473 PolarHBondContact OG1-O 3.29Å; T251-S474 WeakPolarHBondContact CB-O 3.14Å; T251-S474 PolarHBondContact OG1-N 3.02Å; T251-S474 PolarHBondContact OG1-OG 2.87Å
252	G	90.8	Very high	94.6	Very high	24 Å²	24	20.3 Å²	20.3	25%	0.247	11%	0.109	C	C	.	.	H	α-helix	trans	-66.7	-42.2	179	0	0	0	0	0	112.4	S250 L256	S250-G252 PolarHBondContact O-N 3.24Å; G252-L256 WeakPolarHBondContact O-CG 3.49Å; G252-L256 PolarHBondContact O-N 2.89Å; G252-L256 VanDerWaalsContact O-N 3.12Å
253	F	95.1	Very high	94.1	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-54.3	176.6	169.7	-117.2	0	0	0	111.7	L136 L138 I215 S250 H255 L256 V257 V268 L325 W328 L329	L136-F253 HydrophobicContact CD1-CD2 3.84Å; L136-F253 HydrophobicContact CD1-CE2 3.72Å; L138-F253 HydrophobicContact CD1-CD2 4.21Å; L138-F253 HydrophobicContact CD1-CE2 4.04Å; L138-F253 HydrophobicContact CD2-CD2 4.01Å; L138-F253 HydrophobicContact CD2-CE2 4.35Å; I215-F253 HydrophobicContact CD1-CB 4.21Å; I215-F253 HydrophobicContact CD1-CD2 4.49Å; S250-F253 WeakPolarHBondContact O-CB 3.21Å; S250-F253 PolarHBondContact O-N 3Å; S250-F253 VanDerWaalsContact O-N 3.08Å; F253-H255 VanDerWaalsContact C-N 3.28Å; F253-H255 PolarHBondContact O-N 2.81Å; F253-L256 WeakPolarHBondContact O-CB 3.45Å; F253-L256 PolarHBondContact O-N 2.92Å; F253-V257 HydrophobicContact CD2-CG2 4.19Å; F253-V257 HydrophobicContact CE1-CG2 4.36Å; F253-V257 HydrophobicContact CE2-CG2 3.81Å; F253-V257 HydrophobicContact CZ-CG2 3.91Å; F253-V257 WeakPolarHBondContact O-CG2 3.34Å; F253-V257 PolarHBondContact O-N 3.23Å; F253-V268 HydrophobicContact CE2-CG1 4.21Å; F253-V268 HydrophobicContact CE2-CG2 4.27Å; F253-V268 HydrophobicContact CZ-CG2 4.38Å; F253-L325 HydrophobicContact CE1-CB 4.14Å; F253-W328 HydrophobicContact CE1-CE3 4.49Å; F253-W328 HydrophobicContact CE1-CZ3 4.43Å; F253-W328 HydrophobicContact CZ-CZ3 4.11Å; F253-L329 HydrophobicContact CB-CD2 4.13Å; F253-L329 HydrophobicContact CD1-CD2 3.93Å; F253-L329 HydrophobicContact CG-CD2 4.24Å
254	L	94.7	Very high	93.7	Very high	24 Å²	24	28.5 Å²	28.5	13%	0.126	16%	0.155	C	C	.	.	H	α-helix	trans	-59	-39.8	178.5	-66.4	-179.2	0	0	0	112.3	S250 L256 V257 K258 N322 L325 S326	S250-L254 WeakPolarHBondContact O-CG 3.31Å; S250-L254 PolarHBondContact O-N 2.86Å; L254-L256 VanDerWaalsContact C-N 3.31Å; L254-L256 PolarHBondContact O-N 3Å; L254-V257 PolarHBondContact O-N 3.44Å; L254-K258 WeakPolarHBondContact O-CB 3.5Å; L254-K258 PolarHBondContact O-N 2.92Å; L254-N322 HydrophobicContact CD1-CB 3.98Å; L254-N322 HydrophobicContact CD2-CB 4.47Å; L254-L325 HydrophobicContact CD2-CB 3.63Å; L254-L325 HydrophobicContact CD2-CD1 4.09Å; L254-S326 WeakPolarHBondContact CD1-OG 3.3Å
255	H	93	Very high	93.4	Very high	28 Å²	28	26.9 Å²	26.9	13%	0.13	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-39.5	176.6	-173.2	58.9	0	0	0	111.8	T251 F253 K258 L259	T251-H255 WeakPolarHBondContact O-CB 3.32Å; T251-H255 PolarHBondContact O-N 2.87Å; F253-H255 VanDerWaalsContact C-N 3.28Å; F253-H255 PolarHBondContact O-N 2.81Å; H255-K258 PolarHBondContact O-N 3.2Å; H255-L259 WeakPolarHBondContact NE2-CD1 3.45Å; H255-L259 WeakPolarHBondContact O-CB 3.5Å; H255-L259 VanDerWaalsContact O-CG 3.31Å; H255-L259 WeakPolarHBondContact O-CG 3.34Å; H255-L259 PolarHBondContact O-N 3.15Å
256	L	95.4	Very high	93.1	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	16%	0.16	C	C	.	.	H	α-helix	trans	-68.3	-42.3	175.1	-73.3	173.2	0	0	0	112.6	L136 I163 L197 V201 L213 I215 G252 F253 L254 K258 L259 I260	L136-L256 HydrophobicContact CD1-CB 4.13Å; L136-L256 HydrophobicContact CD2-CB 4.2Å; L136-L256 HydrophobicContact CD2-CD1 4.15Å; I163-L256 HydrophobicContact CD1-CD1 3.75Å; I163-L256 HydrophobicContact CD1-CD2 4.19Å; L197-L256 HydrophobicContact CD2-CD2 3.88Å; V201-L256 HydrophobicContact CG2-CD2 4.49Å; L213-L256 HydrophobicContact CD1-CD1 4.27Å; L213-L256 HydrophobicContact CD1-CD2 3.59Å; L213-L256 HydrophobicContact CD1-CG 4.47Å; I215-L256 HydrophobicContact CD1-CD1 4.13Å; I215-L256 HydrophobicContact CG2-CD1 3.67Å; G252-L256 WeakPolarHBondContact O-CG 3.49Å; G252-L256 PolarHBondContact O-N 2.89Å; G252-L256 VanDerWaalsContact O-N 3.12Å; F253-L256 WeakPolarHBondContact O-CB 3.45Å; F253-L256 PolarHBondContact O-N 2.92Å; L254-L256 VanDerWaalsContact C-N 3.31Å; L254-L256 PolarHBondContact O-N 3Å; L256-K258 PolarHBondContact O-N 2.67Å; L256-L259 PolarHBondContact O-N 3.28Å; L256-I260 WeakPolarHBondContact O-CB 3.19Å; L256-I260 VanDerWaalsContact O-CG1 3.31Å; L256-I260 WeakPolarHBondContact O-CG1 3.49Å; L256-I260 PolarHBondContact O-N 2.82Å
257	V	95	Very high	92.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-54.6	-45.6	173	175.9	0	0	0	0	109.9	L136 F253 L254 G261 L262 L265 L317 L325	L136-V257 HydrophobicContact CD1-CG2 3.95Å; F253-V257 HydrophobicContact CD2-CG2 4.19Å; F253-V257 HydrophobicContact CE1-CG2 4.36Å; F253-V257 HydrophobicContact CE2-CG2 3.81Å; F253-V257 HydrophobicContact CZ-CG2 3.91Å; F253-V257 WeakPolarHBondContact O-CG2 3.34Å; F253-V257 PolarHBondContact O-N 3.23Å; L254-V257 PolarHBondContact O-N 3.44Å; V257-G261 PolarHBondContact O-N 2.95Å; V257-L262 HydrophobicContact CG1-CD2 3.77Å; V257-L265 HydrophobicContact CB-CD2 4.15Å; V257-L265 HydrophobicContact CG1-CD2 4.03Å; V257-L265 HydrophobicContact CG2-CD2 3.77Å; V257-L317 HydrophobicContact CG1-CD1 4.47Å; V257-L317 HydrophobicContact CG1-CD2 3.97Å; V257-L325 HydrophobicContact CG1-CD1 4.09Å; V257-L325 HydrophobicContact CG2-CD1 4.47Å
258	K	93.5	Very high	92.7	Very high	113 Å²	113	29.1 Å²	29.1	49%	0.491	16%	0.161	S	C	.	.	H	α-helix	trans	-64	-43	176.7	-178.2	174.9	178.4	172.6	0	113.9	L254 H255 L256 L317	L254-K258 WeakPolarHBondContact O-CB 3.5Å; L254-K258 PolarHBondContact O-N 2.92Å; H255-K258 PolarHBondContact O-N 3.2Å; L256-K258 PolarHBondContact O-N 2.67Å; K258-L317 HydrophobicContact CB-CD1 4.15Å; K258-L317 HydrophobicContact CB-CD2 4.27Å; K258-L317 HydrophobicContact CG-CD1 4.43Å
259	L	94.2	Very high	92.7	Very high	36 Å²	36	29 Å²	29	19%	0.188	16%	0.16	C	C	.	.	H	α-helix	trans	-71.3	-37.1	-178.3	-74.8	-179.5	0	0	0	112.9	L197 Q198 V201 H255 L256	L197-L259 HydrophobicContact CB-CD1 3.62Å; Q198-L259 HydrophobicContact CB-CD1 4.39Å; Q198-L259 HydrophobicContact CB-CD2 3.85Å; Q198-L259 HydrophobicContact CG-CD2 4.01Å; V201-L259 HydrophobicContact CB-CB 4.37Å; V201-L259 HydrophobicContact CG1-CB 4.12Å; V201-L259 WeakPolarHBondContact CG1-O 3.1Å; V201-L259 HydrophobicContact CG2-CB 4.41Å; H255-L259 WeakPolarHBondContact NE2-CD1 3.45Å; H255-L259 WeakPolarHBondContact O-CB 3.5Å; H255-L259 VanDerWaalsContact O-CG 3.31Å; H255-L259 WeakPolarHBondContact O-CG 3.34Å; H255-L259 PolarHBondContact O-N 3.15Å; L256-L259 PolarHBondContact O-N 3.28Å
260	I	94.6	Very high	92.9	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-72	-39.5	176.4	-63.1	169.4	0	0	0	109.3	L136 V201 C211 L213 L256 N264 L265	L136-I260 HydrophobicContact CD2-CD1 3.72Å; L136-I260 HydrophobicContact CG-CD1 4.13Å; V201-I260 HydrophobicContact CG1-CG1 3.92Å; C211-I260 HydrophobicContact CB-CG1 4.44Å; L213-I260 HydrophobicContact CD1-CD1 4.3Å; L256-I260 WeakPolarHBondContact O-CB 3.19Å; L256-I260 VanDerWaalsContact O-CG1 3.31Å; L256-I260 WeakPolarHBondContact O-CG1 3.49Å; L256-I260 PolarHBondContact O-N 2.82Å; I260-N264 HydrophobicContact CG2-CB 3.91Å; I260-N264 WeakPolarHBondContact O-CB 3.3Å; I260-N264 PolarHBondContact O-ND2 3.08Å; I260-L265 HydrophobicContact CB-CB 4.36Å; I260-L265 HydrophobicContact CD1-CD1 4.3Å; I260-L265 HydrophobicContact CG2-CB 3.75Å
261	G	91.1	Very high	93.1	Very high	19 Å²	19	26.4 Å²	26.4	20%	0.196	15%	0.147	C	C	.	.			trans	87.9	144.3	-177.8	0	0	0	0	0	111.7	V257 D263 N264 L265	V257-G261 PolarHBondContact O-N 2.95Å; G261-D263 PolarHBondContact O-N 3.05Å; G261-N264 PolarHBondContact O-N 3.08Å; G261-N264 VanDerWaalsContact O-N 3.09Å; G261-L265 PolarHBondContact O-N 3.44Å
262	L	87.5	Confident	93.4	Very high	18 Å²	18	25.2 Å²	25.2	9%	0.094	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.6	-176.4	-57.8	-179.6	0	0	0	112.4	V257 N264 L304 L308 P315 L317	V257-L262 HydrophobicContact CG1-CD2 3.77Å; L262-N264 VanDerWaalsContact C-N 3.28Å; L262-N264 PolarHBondContact O-N 3.1Å; L262-L304 HydrophobicContact CD2-CD2 3.65Å; L262-L308 HydrophobicContact CD1-CD1 4.23Å; L262-L308 HydrophobicContact CD2-CD1 3.96Å; L262-P315 HydrophobicContact CB-CG 4.26Å; L262-P315 HydrophobicContact CD1-CB 3.7Å; L262-P315 HydrophobicContact CD1-CG 4.16Å; L262-L317 HydrophobicContact CD1-CD1 4.18Å; L262-L317 HydrophobicContact CD1-CG 4.17Å; L262-L317 HydrophobicContact CD2-CD1 3.93Å; L262-L317 HydrophobicContact CD2-CG 4.16Å; L262-L317 HydrophobicContact CG-CD1 3.78Å; L262-L317 HydrophobicContact CG-CG 4.23Å
263	D	84.6	Confident	93.8	Very high	147 Å²	147	24.1 Å²	24.1	79%	0.786	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-22.8	176.9	-55.4	-33.7	0	0	0	113	G261	G261-D263 PolarHBondContact O-N 3.05Å
264	N	89.2	Confident	93.9	Very high	52 Å²	52	24 Å²	24	28%	0.278	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-31.6	-178.3	-62.4	-57.4	0	0	0	113.2	S134 L205 I260 G261 L262 T266	S134-N264 WeakPolarHBondContact CB-O 3.39Å; S134-N264 PolarHBondContact OG-O 3.07Å; L205-N264 HydrophobicContact CD2-CB 4.2Å; I260-N264 HydrophobicContact CG2-CB 3.91Å; I260-N264 WeakPolarHBondContact O-CB 3.3Å; I260-N264 PolarHBondContact O-ND2 3.08Å; G261-N264 PolarHBondContact O-N 3.08Å; G261-N264 VanDerWaalsContact O-N 3.09Å; L262-N264 VanDerWaalsContact C-N 3.28Å; L262-N264 PolarHBondContact O-N 3.1Å; N264-T266 PolarHBondContact O-N 3.33Å
265	L	92.1	Very high	94	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	104.7	-178.1	-179.6	63.1	0	0	0	109.8	S134 L136 V257 I260 G261 L304	S134-L265 WeakPolarHBondContact O-CD1 3.48Å; L136-L265 HydrophobicContact CD1-CD1 4.34Å; L136-L265 HydrophobicContact CD1-CD2 3.97Å; L136-L265 HydrophobicContact CG-CD1 3.91Å; L136-L265 HydrophobicContact CG-CD2 4.44Å; V257-L265 HydrophobicContact CB-CD2 4.15Å; V257-L265 HydrophobicContact CG1-CD2 4.03Å; V257-L265 HydrophobicContact CG2-CD2 3.77Å; I260-L265 HydrophobicContact CB-CB 4.36Å; I260-L265 HydrophobicContact CD1-CD1 4.3Å; I260-L265 HydrophobicContact CG2-CB 3.75Å; G261-L265 PolarHBondContact O-N 3.44Å; L265-L304 HydrophobicContact CB-CD2 3.85Å; L265-L304 HydrophobicContact CD2-CD1 4.22Å; L265-L304 HydrophobicContact CD2-CD2 3.75Å; L265-L304 HydrophobicContact CG-CD2 3.79Å; L265-L304 VanDerWaalsContact O-CD2 3.25Å; L265-L304 WeakPolarHBondContact O-CD2 3.48Å
266	T	91.2	Very high	94.2	Very high	42 Å²	42	22.2 Å²	22.2	26%	0.258	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-44.7	-174.3	43.2	0	0	0	0	111.9	S134 N264 L304	S134-T266 PolarHBondContact N-OG1 2.94Å; S134-T266 PolarHBondContact O-N 3.35Å; S134-T266 PolarHBondContact O-OG1 3.21Å; N264-T266 PolarHBondContact O-N 3.33Å; T266-L304 PolarHBondContact O-N 2.92Å
267	E	93.2	Very high	94.1	Very high	12 Å²	12	22.8 Å²	22.8	6%	0.056	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.5	-175.2	-55.6	87.1	167.6	0	0	114.3	H133 C135 L136 Y269 R301 F302 Y303	H133-E267 IonicContact CE1-OE1 3.74Å; H133-E267 PolarHBondContact CE1-OE1 3.05Å; H133-E267 VanDerWaalsContact CE1-OE1 3.29Å; H133-E267 IonicContact CE1-OE2 2.72Å; H133-E267 PolarHBondContact CE1-OE2 3.44Å; H133-E267 IonicContact ND1-OE1 3.62Å; H133-E267 PolarHBondContact ND1-OE1 3.47Å; H133-E267 IonicContact ND1-OE2 3.63Å; H133-E267 PolarHBondContact ND1-OE2 3.16Å; H133-E267 VanDerWaalsContact ND1-OE2 3.07Å; H133-E267 IonicContact NE2-OE2 2.94Å; C135-E267 WeakPolarHBondContact CA-O 3.45Å; C135-E267 HydrophobicContact CB-CB 4.32Å; C135-E267 VanDerWaalsContact CB-O 3.32Å; C135-E267 WeakPolarHBondContact CB-O 3.3Å; L136-E267 PolarHBondContact N-O 3.39Å; L136-E267 VanDerWaalsContact N-O 3.08Å; E267-Y269 HydrophobicContact CB-CD2 4.44Å; E267-Y269 HydrophobicContact CB-CE2 3.93Å; E267-R301 HydrophobicContact CG-CG 4.43Å; E267-F302 CarbonylContact C-O 3.45Å; E267-F302 VanDerWaalsContact CA-O 3.3Å; E267-F302 WeakPolarHBondContact CA-O 3.43Å; E267-Y303 HydrophobicContact CG-CD1 3.79Å; E267-Y303 HydrophobicContact CG-CE1 3.96Å
268	V	96.1	Very high	94	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126	166.5	-175.1	0	0	0	0	108.2	L136 L138 F253 F302 L304 L307 W328	L136-V268 CarbonylContact O-C 3.47Å; L136-V268 WeakPolarHBondContact O-CA 3.4Å; L138-V268 HydrophobicContact CD1-CG1 3.48Å; L138-V268 VanDerWaalsContact CD1-CG1 3.48Å; L138-V268 HydrophobicContact CG-CG1 3.77Å; F253-V268 HydrophobicContact CE2-CG1 4.21Å; F253-V268 HydrophobicContact CE2-CG2 4.27Å; F253-V268 HydrophobicContact CZ-CG2 4.38Å; V268-F302 PolarHBondContact N-O 2.96Å; V268-F302 PolarHBondContact O-N 3.19Å; V268-L304 HydrophobicContact CG2-CD1 4.4Å; V268-L307 HydrophobicContact CB-CD1 4.42Å; V268-L307 HydrophobicContact CG2-CD1 4.33Å; V268-W328 HydrophobicContact CB-CH2 4.28Å; V268-W328 HydrophobicContact CG1-CH2 3.66Å; V268-W328 HydrophobicContact CG1-CZ3 4.06Å
269	Y	97	Very high	94	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.4	176.4	-70	-85.7	0	0	0	109.5	V124 I125 C135 L136 F137 L138 E267 V299 R300 R301	V124-Y269 HydrophobicContact CB-CE1 4.12Å; V124-Y269 HydrophobicContact CG1-CE1 3.99Å; V124-Y269 HydrophobicContact CG1-CE2 4Å; V124-Y269 HydrophobicContact CG2-CD1 3.97Å; V124-Y269 HydrophobicContact CG2-CE1 3.84Å; I125-Y269 PolarHBondContact N-OH 3.43Å; C135-Y269 HydrophobicContact CB-CD2 4.09Å; C135-Y269 HydrophobicContact CB-CE2 3.93Å; L136-Y269 PolarHBondContact O-N 3.02Å; F137-Y269 AromaticContact CD2-CD2 3.74Å; F137-Y269 HydrophobicContact CD2-CD2 3.74Å; F137-Y269 AromaticContact CD2-CG 3.62Å; F137-Y269 HydrophobicContact CD2-CG 3.62Å; F137-Y269 AromaticContact CE2-CD1 3.93Å; F137-Y269 HydrophobicContact CE2-CD1 3.93Å; F137-Y269 AromaticContact CE2-CD2 3.83Å; F137-Y269 HydrophobicContact CE2-CD2 3.83Å; F137-Y269 AromaticContact CE2-CG 3.39Å; F137-Y269 HydrophobicContact CE2-CG 3.39Å; F137-Y269 HydrophobicContact CZ-CG 4.46Å; L138-Y269 PolarHBondContact N-O 2.81Å; E267-Y269 HydrophobicContact CB-CD2 4.44Å; E267-Y269 HydrophobicContact CB-CE2 3.93Å; Y269-V299 HydrophobicContact CD1-CG1 3.87Å; Y269-R300 CarbonylContact C-O 3.58Å; Y269-R300 WeakPolarHBondContact CA-O 3.47Å; Y269-R301 HydrophobicContact CD1-CB 3.97Å; Y269-R301 HydrophobicContact CD1-CG 4.12Å; Y269-R301 HydrophobicContact CE1-CB 3.7Å; Y269-R301 HydrophobicContact CE1-CG 3.54Å
270	D	97.8	Very high	93.9	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.016	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.2	174.8	-171.4	40.3	0	0	0	109.9	R300 F302 K336	D270-R300 HydrophobicContact CB-CB 4.4Å; D270-R300 PolarHBondContact N-O 3.24Å; D270-R300 PolarHBondContact O-N 3.42Å; D270-F302 HydrophobicContact CB-CD2 4.29Å; D270-F302 HydrophobicContact CB-CE2 3.84Å; D270-K336 WeakPolarHBondContact OD1-CE 3.29Å; D270-K336 IonicContact OD1-NZ 2.68Å; D270-K336 PolarHBondContact OD1-NZ 2.79Å; D270-K336 WeakPolarHBondContact OD2-CE 3.32Å; D270-K336 IonicContact OD2-NZ 2.93Å
271	V	97.8	Very high	93.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.8	-173.3	-177.2	0	0	0	0	111.8	F137 L138 I139 N140 Y297 H298 V299 K336	F137-V271 HydrophobicContact CD1-CB 4.4Å; F137-V271 HydrophobicContact CD1-CG2 3.67Å; F137-V271 HydrophobicContact CE1-CB 4.06Å; F137-V271 HydrophobicContact CE1-CG1 4.3Å; F137-V271 HydrophobicContact CE1-CG2 3.15Å; F137-V271 HydrophobicContact CE2-CG2 4.25Å; F137-V271 HydrophobicContact CG-CG2 4.42Å; F137-V271 HydrophobicContact CZ-CG2 3.46Å; F137-V271 VanDerWaalsContact CZ-CG2 3.46Å; L138-V271 PolarHBondContact O-N 3.22Å; I139-V271 WeakPolarHBondContact CA-O 3.48Å; I139-V271 HydrophobicContact CG1-CB 4.16Å; I139-V271 HydrophobicContact CG2-CB 4.49Å; I139-V271 HydrophobicContact CG2-CG1 4.37Å; N140-V271 PolarHBondContact N-O 2.96Å; N140-V271 PolarHBondContact OD1-O 3.48Å; V271-Y297 HydrophobicContact CG1-CD1 3.79Å; V271-H298 WeakPolarHBondContact CA-O 3.17Å; V271-V299 HydrophobicContact CG1-CG2 4.18Å; V271-V299 HydrophobicContact CG2-CB 4.3Å; V271-V299 HydrophobicContact CG2-CG1 4.07Å; V271-V299 HydrophobicContact CG2-CG2 3.89Å; V271-K336 WeakPolarHBondContact O-CE 3.46Å; V271-K336 PolarHBondContact O-NZ 2.97Å
272	T	98.5	Very high	93.7	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111.7	175.1	-58.2	0	0	0	0	109.2	N140 Y297 H298 K336 L340 F353	N140-T272 VanDerWaalsContact OD1-CA 3.24Å; N140-T272 WeakPolarHBondContact OD1-CA 3.31Å; T272-Y297 WeakPolarHBondContact O-CA 3.47Å; T272-H298 PolarHBondContact N-O 3.35Å; T272-H298 PolarHBondContact O-N 3.37Å; T272-K336 WeakPolarHBondContact OG1-CD 3.25Å; T272-K336 WeakPolarHBondContact OG1-CE 3.26Å; T272-K336 WeakPolarHBondContact OG1-CG 3.13Å; T272-L340 HydrophobicContact CG2-CD1 4.16Å; T272-L340 HydrophobicContact CG2-CD2 3.51Å; T272-L340 HydrophobicContact CG2-CG 3.72Å; T272-F353 HydrophobicContact CG2-CE1 4.43Å; T272-F353 HydrophobicContact CG2-CZ 4Å
273	V	98.2	Very high	93.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.7	171	66.1	0	0	0	0	110.7	I139 N140 Y275 V295 H296 Y297	I139-V273 HydrophobicContact CG2-CB 4.17Å; I139-V273 HydrophobicContact CG2-CG1 3.94Å; N140-V273 PolarHBondContact ND2-O 3.03Å; N140-V273 WeakPolarHBondContact O-CG1 3.49Å; N140-V273 PolarHBondContact OD1-N 3.45Å; V273-Y275 HydrophobicContact CG2-CE2 4.04Å; V273-V295 HydrophobicContact CG2-CG1 3.65Å; V273-H296 WeakPolarHBondContact CA-O 3.3Å; V273-Y297 HydrophobicContact CB-CD1 3.87Å; V273-Y297 HydrophobicContact CB-CE1 3.62Å; V273-Y297 HydrophobicContact CG2-CD1 3.94Å; V273-Y297 HydrophobicContact CG2-CE1 3.39Å
274	A	98.1	Very high	94.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.8	173.1	0	0	0	0	0	112.1	H296 L340 Y343 Y344 F353	A274-H296 PolarHBondContact N-O 3.36Å; A274-H296 PolarHBondContact O-N 3.22Å; A274-L340 HydrophobicContact CB-CD2 3.92Å; A274-Y343 HydrophobicContact CB-CD1 4.01Å; A274-Y343 HydrophobicContact CB-CE1 3.58Å; A274-Y344 WeakPolarHBondContact CA-OH 3.42Å; A274-Y344 WeakPolarHBondContact CB-OH 3.34Å; A274-F353 HydrophobicContact CB-CE2 3.85Å; A274-F353 HydrophobicContact CB-CZ 3.67Å
275	Y	97.1	Very high	94.4	Very high	6 Å²	6	20.1 Å²	20.1	2%	0.024	11%	0.113	C	C	.	.			trans	-112.5	99.8	177.8	-67	-90.6	0	0	0	107.8	R142 T143 D146 F149 V273 D277 L279 P280 P292 V295 Y344	R142-Y275 HydrophobicContact CB-CD2 4.49Å; R142-Y275 HydrophobicContact CB-CE2 4.21Å; R142-Y275 HydrophobicContact CG-CD2 4.07Å; R142-Y275 HydrophobicContact CG-CE2 4.19Å; T143-Y275 HydrophobicContact CG2-CD2 4.33Å; T143-Y275 HydrophobicContact CG2-CE2 3.75Å; T143-Y275 PolarHBondContact OG1-OH 2.88Å; D146-Y275 WeakPolarHBondContact OD1-CE2 3.16Å; D146-Y275 PolarHBondContact OD1-OH 3.32Å; F149-Y275 HydrophobicContact CD2-CE1 4.18Å; F149-Y275 HydrophobicContact CE2-CE1 4.45Å; V273-Y275 HydrophobicContact CG2-CE2 4.04Å; Y275-D277 PolarHBondContact O-N 3.49Å; Y275-L279 HydrophobicContact CD2-CD1 3.68Å; Y275-L279 HydrophobicContact CE2-CD1 4.3Å; Y275-L279 HydrophobicContact CG-CD1 3.9Å; Y275-P280 VanDerWaalsContact CD1-CD 3.45Å; Y275-P280 HydrophobicContact CD1-CG 4.04Å; Y275-P280 VanDerWaalsContact CE1-CD 3.48Å; Y275-P280 HydrophobicContact CE1-CG 3.54Å; Y275-P292 HydrophobicContact CD1-CB 4.19Å; Y275-P292 HydrophobicContact CD1-CG 4.41Å; Y275-P292 HydrophobicContact CE1-CG 4.47Å; Y275-V295 HydrophobicContact CD1-CG1 4.38Å; Y275-V295 HydrophobicContact CD1-CG2 3.81Å; Y275-V295 HydrophobicContact CE1-CG1 4.07Å; Y275-V295 HydrophobicContact CE1-CG2 3.62Å; Y275-Y344 PolarHBondContact N-OH 3.49Å; Y275-Y344 WeakPolarHBondContact O-CE1 3.41Å
276	P	95.6	Very high	94.5	Very high	8 Å²	8	20.4 Å²	20.4	5%	0.052	11%	0.114	C	C	.	.	S	Bend	trans	-63.2	-27.4	-168.9	-15.9	27.3	0	0	0	113.3	E294 H296 Y343 R351	P276-E294 WeakPolarHBondContact CD-O 3.5Å; P276-E294 HydrophobicContact CG-CB 4.01Å; P276-H296 VanDerWaalsContact CG-CD2 3.49Å; P276-H296 WeakPolarHBondContact CG-CD2 3.39Å; P276-H296 WeakPolarHBondContact CG-NE2 3.37Å; P276-Y343 VanDerWaalsContact CG-OH 3.26Å; P276-Y343 WeakPolarHBondContact CG-OH 3.29Å; P276-R351 HydrophobicContact CB-CB 4.28Å; P276-R351 WeakPolarHBondContact O-CD 3.14Å; P276-R351 PolarHBondContact O-NH1 2.71Å
277	D	93.3	Very high	94.6	Very high	14 Å²	14	21.2 Å²	21.2	8%	0.075	12%	0.116	C	C	.	.	S	Bend	trans	-129.4	-76	-169.8	63.1	-25.3	0	0	0	112.4	P45 L47 Y275 H293 I348	P45-D277 VanDerWaalsContact CD-O 3.28Å; P45-D277 WeakPolarHBondContact CD-O 3.32Å; P45-D277 WeakPolarHBondContact CG-O 3.47Å; L47-D277 HydrophobicContact CD1-CB 3.99Å; Y275-D277 PolarHBondContact O-N 3.49Å; D277-H293 WeakPolarHBondContact OD2-CB 3.47Å; D277-H293 IonicContact OD2-CE1 2.89Å; D277-H293 IonicContact OD2-CG 3.42Å; D277-H293 PolarHBondContact OD2-N 2.96Å; D277-H293 VanDerWaalsContact OD2-N 3.13Å; D277-H293 IonicContact OD2-ND1 2.96Å; D277-H293 PolarHBondContact OD2-ND1 3.08Å; D277-I348 HydrophobicContact CB-CG2 3.99Å
278	I	93.8	Very high	94.5	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.062	14%	0.14	C	C	.	.			trans	-105	128.1	-172.3	-63.1	169.1	0	0	0	108.6	L47 P280 H290 V291	L47-I278 HydrophobicContact CB-CG1 4.32Å; L47-I278 HydrophobicContact CD1-CD1 4.3Å; L47-I278 HydrophobicContact CD1-CG1 3.5Å; I278-P280 WeakPolarHBondContact O-CD 3.35Å; I278-H290 HydrophobicContact CG2-CB 3.67Å; I278-V291 WeakPolarHBondContact CD1-O 3.37Å
279	L	93.6	Very high	94.4	Very high	25 Å²	25	27.6 Å²	27.6	13%	0.131	14%	0.142	C	C	.	.			trans	-88.3	117.3	171.9	-167.7	70.2	0	0	0	109.7	P44 R142 T143 Y275 S281	P44-L279 HydrophobicContact CB-CB 4.15Å; P44-L279 HydrophobicContact CG-CB 4.04Å; P44-L279 HydrophobicContact CG-CD2 3.75Å; R142-L279 HydrophobicContact CG-CD1 3.73Å; T143-L279 HydrophobicContact CG2-CD1 3.4Å; T143-L279 HydrophobicContact CG2-CG 3.88Å; Y275-L279 HydrophobicContact CD2-CD1 3.68Å; Y275-L279 HydrophobicContact CE2-CD1 4.3Å; Y275-L279 HydrophobicContact CG-CD1 3.9Å; L279-S281 PolarHBondContact O-N 3.02Å
280	P	92.1	Very high	94.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.			trans	-79.3	56.6	179.9	33.8	-36.9	0	0	0	111.6	T143 L145 F149 Y275 I278 L286 P292	T143-P280 HydrophobicContact CG2-CG 4.36Å; L145-P280 HydrophobicContact CD1-CB 4.07Å; F149-P280 HydrophobicContact CD2-CG 4.46Å; F149-P280 HydrophobicContact CE2-CB 4.19Å; F149-P280 HydrophobicContact CE2-CG 3.72Å; F149-P280 HydrophobicContact CZ-CG 4.43Å; Y275-P280 VanDerWaalsContact CD1-CD 3.45Å; Y275-P280 HydrophobicContact CD1-CG 4.04Å; Y275-P280 VanDerWaalsContact CE1-CD 3.48Å; Y275-P280 HydrophobicContact CE1-CG 3.54Å; I278-P280 WeakPolarHBondContact O-CD 3.35Å; P280-L286 HydrophobicContact CB-CD2 3.82Å; P280-L286 HydrophobicContact CB-CG 4.34Å; P280-P292 HydrophobicContact CG-CG 4.24Å
281	S	90.5	Very high	94	Very high	39 Å²	39	29.7 Å²	29.7	27%	0.273	15%	0.152	S	C	.	.			trans	-139.6	131.6	-177.4	-174.9	0	0	0	0	111.3	L279 N285	L279-S281 PolarHBondContact O-N 3.02Å; S281-N285 PolarHBondContact O-ND2 2.82Å
282	P	90.8	Very high	93.9	Very high	66 Å²	66	29.7 Å²	29.7	43%	0.429	15%	0.152	S	C	.	.	S	Bend	cis	-60.4	164.3	-12.4	27.4	-36.9	0	0	0	112.5	I284 N285	P282-I284 HydrophobicContact CB-CG2 4.31Å; P282-I284 HydrophobicContact CG-CG2 3.94Å; P282-I284 PolarHBondContact O-N 3.46Å; P282-I284 VanDerWaalsContact O-N 3.14Å; P282-N285 WeakPolarHBondContact CD-ND2 3.38Å; P282-N285 WeakPolarHBondContact O-CB 3.28Å; P282-N285 PolarHBondContact O-N 2.9Å
283	E	90.9	Very high	93.7	Very high	64 Å²	64	33.5 Å²	33.5	30%	0.299	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-60.9	-29.1	-171.6	-55.1	95.6	133.3	0	0	113.1	Q144 L145 N285 L286	Q144-E283 HydrophobicContact CB-CG 4.05Å; Q144-E283 WeakPolarHBondContact CB-OE1 3.46Å; Q144-E283 WeakPolarHBondContact CG-OE1 3.45Å; Q144-E283 VanDerWaalsContact NE2-CD 3.34Å; Q144-E283 PolarHBondContact NE2-OE1 3.21Å; Q144-E283 PolarHBondContact NE2-OE2 2.94Å; Q144-E283 PolarHBondContact OE1-OE1 3.07Å; Q144-E283 VanDerWaalsContact OE1-OE1 3.08Å; L145-E283 HydrophobicContact CD1-CB 4.05Å; L145-E283 HydrophobicContact CD1-CG 3.89Å; L145-E283 HydrophobicContact CD2-CB 4.49Å; L145-E283 HydrophobicContact CD2-CG 3.95Å; L145-E283 HydrophobicContact CG-CB 4.32Å; L145-E283 HydrophobicContact CG-CG 3.66Å; E283-N285 PolarHBondContact O-N 3.14Å; E283-N285 VanDerWaalsContact O-N 3.12Å; E283-L286 WeakPolarHBondContact O-CB 3.45Å; E283-L286 PolarHBondContact O-N 3.39Å
284	I	92.3	Very high	93.6	Very high	86 Å²	86	35.9 Å²	35.9	44%	0.441	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-59.4	-20.9	174.3	-161.3	71.8	0	0	0	112.3	P282 L286 I287 Y288	P282-I284 HydrophobicContact CB-CG2 4.31Å; P282-I284 HydrophobicContact CG-CG2 3.94Å; P282-I284 PolarHBondContact O-N 3.46Å; P282-I284 VanDerWaalsContact O-N 3.14Å; I284-L286 PolarHBondContact O-N 2.79Å; I284-I287 HydrophobicContact CD1-CD1 3.37Å; I284-I287 HydrophobicContact CD1-CG1 3.71Å; I284-I287 HydrophobicContact CG1-CD1 3.87Å; I284-I287 HydrophobicContact CG1-CG1 3.89Å; I284-I287 WeakPolarHBondContact O-CG1 3.48Å; I284-I287 PolarHBondContact O-N 3.12Å; I284-I287 VanDerWaalsContact O-N 3.14Å; I284-Y288 HydrophobicContact CG1-CD2 4.4Å; I284-Y288 HydrophobicContact CG1-CE2 3.79Å; I284-Y288 HydrophobicContact CG2-CE2 4.27Å; I284-Y288 VanDerWaalsContact O-CD2 3.26Å; I284-Y288 WeakPolarHBondContact O-CD2 3.22Å; I284-Y288 PolarHBondContact O-N 3.11Å
285	N	92	Very high	93.5	Very high	40 Å²	40	35.9 Å²	35.9	21%	0.214	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-63	-24.9	176.2	-71.6	-6.1	0	0	0	112.4	S281 P282 E283 I287 Y288 G289 H290	S281-N285 PolarHBondContact O-ND2 2.82Å; P282-N285 WeakPolarHBondContact CD-ND2 3.38Å; P282-N285 WeakPolarHBondContact O-CB 3.28Å; P282-N285 PolarHBondContact O-N 2.9Å; E283-N285 PolarHBondContact O-N 3.14Å; E283-N285 VanDerWaalsContact O-N 3.12Å; N285-I287 PolarHBondContact O-N 3.42Å; N285-Y288 PolarHBondContact O-N 3.35Å; N285-G289 PolarHBondContact O-N 3.38Å; N285-H290 HydrophobicContact CB-CB 3.92Å; N285-H290 WeakPolarHBondContact O-CB 3.49Å; N285-H290 PolarHBondContact O-N 3.27Å
286	L	93.7	Very high	93.6	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-58.3	-45.9	172.8	-69.6	-179.2	0	0	0	111.9	A57 F113 L145 F149 P280 E283 I284 Y288 G289 V291	A57-L286 HydrophobicContact CB-CB 4.16Å; A57-L286 VanDerWaalsContact CB-O 3.29Å; A57-L286 WeakPolarHBondContact CB-O 3.44Å; F113-L286 HydrophobicContact CE2-CD1 4.2Å; L145-L286 HydrophobicContact CD1-CD1 3.51Å; L145-L286 HydrophobicContact CD1-CG 4.1Å; F149-L286 HydrophobicContact CZ-CD2 4.46Å; P280-L286 HydrophobicContact CB-CD2 3.82Å; P280-L286 HydrophobicContact CB-CG 4.34Å; E283-L286 WeakPolarHBondContact O-CB 3.45Å; E283-L286 PolarHBondContact O-N 3.39Å; I284-L286 PolarHBondContact O-N 2.79Å; L286-Y288 PolarHBondContact O-N 3.4Å; L286-G289 WeakPolarHBondContact O-CA 3.32Å; L286-G289 PolarHBondContact O-N 3.33Å; L286-V291 HydrophobicContact CD2-CB 4.35Å; L286-V291 HydrophobicContact CD2-CG1 4.44Å; L286-V291 HydrophobicContact CD2-CG2 4.02Å
287	I	93.4	Very high	93.7	Very high	60 Å²	60	35.3 Å²	35.3	31%	0.308	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-24.5	-178.9	66.1	154	0	0	0	112.4	G54 I58 I61 I284 N285 G289	G54-I287 VanDerWaalsContact CA-O 3.3Å; G54-I287 WeakPolarHBondContact CA-O 3.36Å; I58-I287 HydrophobicContact CD1-CB 4.33Å; I58-I287 HydrophobicContact CG1-CB 3.96Å; I58-I287 HydrophobicContact CG1-CG2 3.81Å; I61-I287 HydrophobicContact CD1-CG2 4.11Å; I284-I287 HydrophobicContact CD1-CD1 3.37Å; I284-I287 HydrophobicContact CD1-CG1 3.71Å; I284-I287 HydrophobicContact CG1-CD1 3.87Å; I284-I287 HydrophobicContact CG1-CG1 3.89Å; I284-I287 WeakPolarHBondContact O-CG1 3.48Å; I284-I287 PolarHBondContact O-N 3.12Å; I284-I287 VanDerWaalsContact O-N 3.14Å; N285-I287 PolarHBondContact O-N 3.42Å; I287-G289 PolarHBondContact O-N 3.12Å
288	Y	92.3	Very high	93.9	Very high	141 Å²	141	35.5 Å²	35.5	55%	0.553	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.8	171.8	-66.3	-60.1	0	0	0	112.6	V49 I284 N285 L286	V49-Y288 WeakPolarHBondContact CG1-O 3.44Å; I284-Y288 HydrophobicContact CG1-CD2 4.4Å; I284-Y288 HydrophobicContact CG1-CE2 3.79Å; I284-Y288 HydrophobicContact CG2-CE2 4.27Å; I284-Y288 VanDerWaalsContact O-CD2 3.26Å; I284-Y288 WeakPolarHBondContact O-CD2 3.22Å; I284-Y288 PolarHBondContact O-N 3.11Å; N285-Y288 PolarHBondContact O-N 3.35Å; L286-Y288 PolarHBondContact O-N 3.4Å
289	G	92.9	Very high	94.1	Very high	5 Å²	5	35 Å²	35	5%	0.052	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.8	11.1	176.5	0	0	0	0	0	114.9	G54 N285 L286 I287 V291	G54-G289 VanDerWaalsContact N-CA 3.32Å; N285-G289 PolarHBondContact O-N 3.38Å; L286-G289 WeakPolarHBondContact O-CA 3.32Å; L286-G289 PolarHBondContact O-N 3.33Å; I287-G289 PolarHBondContact O-N 3.12Å; G289-V291 PolarHBondContact O-N 3.02Å; G289-V291 VanDerWaalsContact O-N 3.1Å
290	H	93	Very high	94.3	Very high	46 Å²	46	37 Å²	37	21%	0.213	18%	0.181	C	C	.	.			trans	-84.2	67.7	167.8	-63.9	-69.8	0	0	0	110	V49 I278 N285	V49-H290 VanDerWaalsContact CG2-CE1 3.41Å; V49-H290 WeakPolarHBondContact CG2-CE1 3.44Å; V49-H290 WeakPolarHBondContact CG2-NE2 3.33Å; I278-H290 HydrophobicContact CG2-CB 3.67Å; N285-H290 HydrophobicContact CB-CB 3.92Å; N285-H290 WeakPolarHBondContact O-CB 3.49Å; N285-H290 PolarHBondContact O-N 3.27Å
291	V	94.7	Very high	94.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.187	C	C	.	.			trans	-94.6	128.4	174	-176.6	0	0	0	0	108	Y53 A57 F113 I278 L286 G289 H293	Y53-V291 HydrophobicContact CD1-CB 4.23Å; A57-V291 HydrophobicContact CB-CG2 3.95Å; F113-V291 HydrophobicContact CB-CG1 3.93Å; F113-V291 HydrophobicContact CD2-CG1 4.34Å; F113-V291 HydrophobicContact CG-CG1 4.39Å; I278-V291 WeakPolarHBondContact CD1-O 3.37Å; L286-V291 HydrophobicContact CD2-CB 4.35Å; L286-V291 HydrophobicContact CD2-CG1 4.44Å; L286-V291 HydrophobicContact CD2-CG2 4.02Å; G289-V291 PolarHBondContact O-N 3.02Å; G289-V291 VanDerWaalsContact O-N 3.1Å; V291-H293 PolarHBondContact O-N 2.89Å
292	P	95.1	Very high	94.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.182	C	C	.	.			trans	-58.3	133.1	174.2	23.7	-32.6	0	0	0	110.4	C115 F149 Y275 P280 E294 V295	C115-P292 VanDerWaalsContact CB-O 3.31Å; C115-P292 WeakPolarHBondContact CB-O 3.45Å; C115-P292 PolarHBondContact SG-O 2.7Å; F149-P292 HydrophobicContact CE1-CG 3.9Å; F149-P292 HydrophobicContact CE2-CG 4.17Å; F149-P292 HydrophobicContact CZ-CG 3.6Å; Y275-P292 HydrophobicContact CD1-CB 4.19Å; Y275-P292 HydrophobicContact CD1-CG 4.41Å; Y275-P292 HydrophobicContact CE1-CG 4.47Å; P280-P292 HydrophobicContact CG-CG 4.24Å; P292-E294 VanDerWaalsContact C-N 3.29Å; P292-V295 HydrophobicContact CB-CG2 4.11Å; P292-V295 HydrophobicContact CG-CG2 4.05Å
293	H	94.4	Very high	94.8	Very high	82 Å²	82	38.5 Å²	38.5	38%	0.38	17%	0.173	S	C	.	.	S	Bend	trans	-72.7	-32.5	171.5	-61.7	91.4	0	0	0	110.2	Y53 C115 R116 D277 V291	Y53-H293 AromaticContact CZ-NE2 3.97Å; C115-H293 CarbonylContact C-O 3.58Å; C115-H293 WeakPolarHBondContact CA-O 3.37Å; R116-H293 PolarHBondContact N-O 3.19Å; D277-H293 WeakPolarHBondContact OD2-CB 3.47Å; D277-H293 IonicContact OD2-CE1 2.89Å; D277-H293 IonicContact OD2-CG 3.42Å; D277-H293 PolarHBondContact OD2-N 2.96Å; D277-H293 VanDerWaalsContact OD2-N 3.13Å; D277-H293 IonicContact OD2-ND1 2.96Å; D277-H293 PolarHBondContact OD2-ND1 3.08Å; V291-H293 PolarHBondContact O-N 2.89Å
294	E	95.5	Very high	94.8	Very high	52 Å²	52	35.5 Å²	35.5	24%	0.243	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153	177.3	-53.8	-166.7	165.9	0	0	111.8	R116 R118 P276 P292 H296	R116-E294 HydrophobicContact CB-CG 4.2Å; R116-E294 CarbonylContact O-C 3.59Å; R116-E294 WeakPolarHBondContact O-CA 3.4Å; R118-E294 WeakPolarHBondContact CD-OE2 3.29Å; R118-E294 IonicContact NH1-OE1 2.69Å; R118-E294 IonicContact NH1-OE2 3.66Å; P276-E294 WeakPolarHBondContact CD-O 3.5Å; P276-E294 HydrophobicContact CG-CB 4.01Å; P292-E294 VanDerWaalsContact C-N 3.29Å; E294-H296 IonicContact OE2-CD2 2.85Å; E294-H296 IonicContact OE2-CE1 2.66Å; E294-H296 IonicContact OE2-NE2 3.16Å; E294-H296 PolarHBondContact OE2-NE2 3.2Å
295	V	97.5	Very high	94.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.9	164.7	-175.5	0	0	0	0	107.9	R116 I117 R118 F149 V273 Y275 P292 Y297	R116-V295 PolarHBondContact O-N 3.11Å; I117-V295 HydrophobicContact CD1-CB 3.79Å; I117-V295 HydrophobicContact CD1-CG2 4.11Å; R118-V295 PolarHBondContact N-O 2.89Å; F149-V295 HydrophobicContact CB-CG1 4.49Å; F149-V295 HydrophobicContact CB-CG2 4.28Å; F149-V295 HydrophobicContact CD1-CG2 4.09Å; F149-V295 HydrophobicContact CG-CG2 4.08Å; V273-V295 HydrophobicContact CG2-CG1 3.65Å; Y275-V295 HydrophobicContact CD1-CG1 4.38Å; Y275-V295 HydrophobicContact CD1-CG2 3.81Å; Y275-V295 HydrophobicContact CE1-CG1 4.07Å; Y275-V295 HydrophobicContact CE1-CG2 3.62Å; P292-V295 HydrophobicContact CB-CG2 4.11Å; P292-V295 HydrophobicContact CG-CG2 4.05Å; V295-Y297 HydrophobicContact CB-CE2 4.17Å; V295-Y297 HydrophobicContact CG1-CD2 4.24Å; V295-Y297 HydrophobicContact CG1-CE2 3.52Å
296	H	98	Very high	94.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.1	-175.8	-68.2	-164.8	0	0	0	109.4	R118 F120 V273 A274 P276 E294 Y343 R351 F353	R118-H296 WeakPolarHBondContact CD-NE2 3.2Å; F120-H296 HydrophobicContact CD2-CB 4.26Å; F120-H296 HydrophobicContact CE2-CB 3.75Å; F120-H296 AromaticContact CE2-CG 3.59Å; F120-H296 AromaticContact CE2-ND1 3.63Å; F120-H296 AromaticContact CZ-ND1 3.79Å; V273-H296 WeakPolarHBondContact CA-O 3.3Å; A274-H296 PolarHBondContact N-O 3.36Å; A274-H296 PolarHBondContact O-N 3.22Å; P276-H296 VanDerWaalsContact CG-CD2 3.49Å; P276-H296 WeakPolarHBondContact CG-CD2 3.39Å; P276-H296 WeakPolarHBondContact CG-NE2 3.37Å; E294-H296 IonicContact OE2-CD2 2.85Å; E294-H296 IonicContact OE2-CE1 2.66Å; E294-H296 IonicContact OE2-NE2 3.16Å; E294-H296 PolarHBondContact OE2-NE2 3.2Å; H296-Y343 PolarHBondContact CE1-OH 2.84Å; H296-Y343 AromaticContact ND1-CE2 3.68Å; H296-Y343 AromaticContact ND1-CZ 3.62Å; H296-Y343 PolarHBondContact ND1-OH 3.21Å; H296-R351 PolarHBondContact CE1-O 2.86Å; H296-F353 HydrophobicContact CB-CD2 3.95Å; H296-F353 HydrophobicContact CB-CE2 3.78Å
297	Y	98.1	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.6	173.8	-66.1	-87.8	0	0	0	109.6	I117 R118 H119 F120 F149 V150 L153 V271 T272 V273 V295	I117-Y297 HydrophobicContact CG2-CD2 3.75Å; I117-Y297 HydrophobicContact CG2-CE2 3.77Å; R118-Y297 PolarHBondContact O-N 2.85Å; H119-Y297 CarbonylContact C-O 3.56Å; F120-Y297 PolarHBondContact N-O 3Å; F149-Y297 VanDerWaalsContact CB-OH 3.29Å; F149-Y297 WeakPolarHBondContact CB-OH 3.35Å; V150-Y297 WeakPolarHBondContact CA-OH 3.38Å; V150-Y297 HydrophobicContact CB-CE1 4.17Å; V150-Y297 HydrophobicContact CG2-CE1 4.06Å; V150-Y297 PolarHBondContact N-OH 2.94Å; L153-Y297 HydrophobicContact CD1-CD1 4.02Å; L153-Y297 HydrophobicContact CD1-CD2 3.84Å; L153-Y297 HydrophobicContact CD1-CE2 4.4Å; L153-Y297 HydrophobicContact CD1-CG 3.63Å; L153-Y297 HydrophobicContact CD2-CD2 3.74Å; L153-Y297 HydrophobicContact CD2-CG 4.07Å; L153-Y297 HydrophobicContact CG-CD2 3.76Å; L153-Y297 HydrophobicContact CG-CE2 4.24Å; L153-Y297 HydrophobicContact CG-CG 4.08Å; V271-Y297 HydrophobicContact CG1-CD1 3.79Å; T272-Y297 WeakPolarHBondContact O-CA 3.47Å; V273-Y297 HydrophobicContact CB-CD1 3.87Å; V273-Y297 HydrophobicContact CB-CE1 3.62Å; V273-Y297 HydrophobicContact CG2-CD1 3.94Å; V273-Y297 HydrophobicContact CG2-CE1 3.39Å; V295-Y297 HydrophobicContact CB-CE2 4.17Å; V295-Y297 HydrophobicContact CG1-CD2 4.24Å; V295-Y297 HydrophobicContact CG1-CE2 3.52Å
298	H	98.1	Very high	93.6	Very high	19 Å²	19	37.2 Å²	37.2	9%	0.088	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.8	170	179.7	-113.7	0	0	0	109.2	F120 V271 T272 R300 F353	F120-H298 HydrophobicContact CB-CB 4.25Å; F120-H298 WeakPolarHBondContact O-CA 3.15Å; V271-H298 WeakPolarHBondContact CA-O 3.17Å; T272-H298 PolarHBondContact N-O 3.35Å; T272-H298 PolarHBondContact O-N 3.37Å; H298-R300 PolarHBondContact CE1-NE 3.07Å; H298-F353 HydrophobicContact CB-CB 4.11Å; H298-F353 HydrophobicContact CB-CD1 4.13Å; H298-F353 HydrophobicContact CB-CD2 3.62Å; H298-F353 HydrophobicContact CB-CE1 4.48Å; H298-F353 HydrophobicContact CB-CE2 3.97Å; H298-F353 HydrophobicContact CB-CG 3.69Å; H298-F353 HydrophobicContact CB-CZ 4.38Å
299	V	97.6	Very high	92.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133	-174.6	-179.1	0	0	0	0	108.9	H119 F120 G121 D122 V124 F137 Y269 V271	H119-V299 WeakPolarHBondContact NE2-CG2 3.23Å; F120-V299 PolarHBondContact O-N 2.84Å; G121-V299 WeakPolarHBondContact CA-O 3.45Å; D122-V299 PolarHBondContact N-O 3.12Å; V124-V299 HydrophobicContact CG2-CG1 4.06Å; F137-V299 HydrophobicContact CZ-CG1 4.39Å; Y269-V299 HydrophobicContact CD1-CG1 3.87Å; V271-V299 HydrophobicContact CG1-CG2 4.18Å; V271-V299 HydrophobicContact CG2-CB 4.3Å; V271-V299 HydrophobicContact CG2-CG1 4.07Å; V271-V299 HydrophobicContact CG2-CG2 3.89Å
300	R	97.4	Very high	91.2	Very high	69 Å²	69	38.3 Å²	38.3	26%	0.26	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.5	168.6	-72.4	178.4	167.4	170.5	-7.7	110.1	D122 Y269 D270 H298 F302 E335	D122-R300 WeakPolarHBondContact OD2-CA 3.45Å; Y269-R300 CarbonylContact C-O 3.58Å; Y269-R300 WeakPolarHBondContact CA-O 3.47Å; D270-R300 HydrophobicContact CB-CB 4.4Å; D270-R300 PolarHBondContact N-O 3.24Å; D270-R300 PolarHBondContact O-N 3.42Å; H298-R300 PolarHBondContact CE1-NE 3.07Å; R300-F302 HydrophobicContact CB-CE2 3.7Å; R300-F302 HydrophobicContact CB-CZ 4.19Å; R300-E335 IonicContact CZ-OE1 3.38Å; R300-E335 IonicContact NH1-OE1 2.64Å; R300-E335 PolarHBondContact NH1-OE1 3.29Å; R300-E335 IonicContact NH1-OE2 3.41Å; R300-E335 PolarHBondContact NH1-OE2 2.97Å; R300-E335 IonicContact NH2-OE1 3.24Å; R300-E335 PolarHBondContact NH2-OE1 3.39Å
301	R	95.7	Very high	89.5	Confident	32 Å²	32	42 Å²	42	12%	0.121	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.1	-178.4	-177.9	179.9	64	-170.9	-3.5	110.3	D122 E267 Y269	D122-R301 HydrophobicContact CB-CB 4.12Å; D122-R301 PolarHBondContact OD2-N 2.91Å; E267-R301 HydrophobicContact CG-CG 4.43Å; Y269-R301 HydrophobicContact CD1-CB 3.97Å; Y269-R301 HydrophobicContact CD1-CG 4.12Å; Y269-R301 HydrophobicContact CE1-CB 3.7Å; Y269-R301 HydrophobicContact CE1-CG 3.54Å
302	F	95.6	Very high	87.5	Confident	41 Å²	41	48.8 Å²	48.8	18%	0.18	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.9	173.8	-61.3	-89.7	0	0	0	109.7	E267 V268 D270 R300 L307 W328 R332	E267-F302 CarbonylContact C-O 3.45Å; E267-F302 VanDerWaalsContact CA-O 3.3Å; E267-F302 WeakPolarHBondContact CA-O 3.43Å; V268-F302 PolarHBondContact N-O 2.96Å; V268-F302 PolarHBondContact O-N 3.19Å; D270-F302 HydrophobicContact CB-CD2 4.29Å; D270-F302 HydrophobicContact CB-CE2 3.84Å; R300-F302 HydrophobicContact CB-CE2 3.7Å; R300-F302 HydrophobicContact CB-CZ 4.19Å; F302-L307 HydrophobicContact CB-CD1 4.05Å; F302-L307 HydrophobicContact CB-CD2 3.91Å; F302-L307 HydrophobicContact CB-CG 4.07Å; F302-L307 HydrophobicContact CD1-CD2 3.87Å; F302-L307 HydrophobicContact CG-CD2 4.13Å; F302-W328 HydrophobicContact CB-CZ2 4.32Å; F302-W328 HydrophobicContact CD1-CZ2 4.29Å; F302-W328 HydrophobicContact CD2-CH2 4.41Å; F302-W328 AromaticContact CD2-CZ2 3.65Å; F302-W328 HydrophobicContact CD2-CZ2 3.65Å; F302-W328 AromaticContact CE2-CZ2 4Å; F302-W328 HydrophobicContact CE2-CZ2 4Å; F302-W328 AromaticContact CG-CZ2 3.81Å; F302-W328 HydrophobicContact CG-CZ2 3.81Å; F302-W328 HydrophobicContact CZ-CZ2 4.47Å; F302-R332 VanDerWaalsContact CE1-NH1 3.28Å; F302-R332 VanDerWaalsContact CZ-NH1 3.25Å
303	Y	92.6	Very high	85.8	Confident	62 Å²	62	57 Å²	57	24%	0.243	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	135.3	167.7	-64.3	-77.6	0	0	0	109.2	E267 N305 D306 L307	E267-Y303 HydrophobicContact CG-CD1 3.79Å; E267-Y303 HydrophobicContact CG-CE1 3.96Å; Y303-N305 PolarHBondContact O-N 2.72Å; Y303-D306 PolarHBondContact O-N 3.21Å; Y303-D306 VanDerWaalsContact O-N 3.14Å; Y303-L307 PolarHBondContact O-N 2.87Å
304	L	90	Very high	84.2	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-35.5	-178.2	-174.1	67.8	0	0	0	111.6	L262 L265 T266 V268 D306 L307 L308 L325	L262-L304 HydrophobicContact CD2-CD2 3.65Å; L265-L304 HydrophobicContact CB-CD2 3.85Å; L265-L304 HydrophobicContact CD2-CD1 4.22Å; L265-L304 HydrophobicContact CD2-CD2 3.75Å; L265-L304 HydrophobicContact CG-CD2 3.79Å; L265-L304 VanDerWaalsContact O-CD2 3.25Å; L265-L304 WeakPolarHBondContact O-CD2 3.48Å; T266-L304 PolarHBondContact O-N 2.92Å; V268-L304 HydrophobicContact CG2-CD1 4.4Å; L304-D306 VanDerWaalsContact C-N 3.3Å; L304-D306 PolarHBondContact O-N 3.06Å; L304-L307 WeakPolarHBondContact O-CB 3.44Å; L304-L307 PolarHBondContact O-N 3.09Å; L304-L307 VanDerWaalsContact O-N 3.16Å; L304-L308 HydrophobicContact CG-CD1 4.14Å; L304-L308 HydrophobicContact CG-CG 4.49Å; L304-L308 WeakPolarHBondContact O-CG 3.43Å; L304-L308 PolarHBondContact O-N 3.16Å; L304-L308 VanDerWaalsContact O-N 3.11Å; L304-L325 HydrophobicContact CD1-CD2 4.27Å
305	N	86.6	Confident	82.6	Confident	90 Å²	90	57.5 Å²	57.5	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-61.1	-39.4	178.7	-66.1	-8.1	0	0	0	112.4	Y303 L308 D309 I310	Y303-N305 PolarHBondContact O-N 2.72Å; N305-L308 PolarHBondContact O-N 3.38Å; N305-D309 PolarHBondContact O-N 3.36Å; N305-I310 HydrophobicContact CB-CD1 3.86Å; N305-I310 PolarHBondContact O-N 3.5Å; N305-I310 VanDerWaalsContact OD1-CD1 3.23Å; N305-I310 WeakPolarHBondContact OD1-CD1 3.41Å
306	D	88.3	Confident	81.4	Confident	100 Å²	100	64.7 Å²	64.7	54%	0.535	33%	0.329	S	S	.	.	H	α-helix	trans	-70.2	-35.2	177.4	-58.7	-17.4	0	0	0	110.9	Y303 L304 L308 D309	Y303-D306 PolarHBondContact O-N 3.21Å; Y303-D306 VanDerWaalsContact O-N 3.14Å; L304-D306 VanDerWaalsContact C-N 3.3Å; L304-D306 PolarHBondContact O-N 3.06Å; D306-L308 PolarHBondContact O-N 3.08Å; D306-D309 PolarHBondContact O-N 2.87Å
307	L	88.2	Confident	80.4	Confident	18 Å²	18	67.1 Å²	67.1	9%	0.094	34%	0.342	C	S	.	.	H	α-helix	trans	-65.9	-30.5	175.7	-61.5	-174.1	0	0	0	112.5	V268 F302 Y303 L304 K324 L325 W328	V268-L307 HydrophobicContact CB-CD1 4.42Å; V268-L307 HydrophobicContact CG2-CD1 4.33Å; F302-L307 HydrophobicContact CB-CD1 4.05Å; F302-L307 HydrophobicContact CB-CD2 3.91Å; F302-L307 HydrophobicContact CB-CG 4.07Å; F302-L307 HydrophobicContact CD1-CD2 3.87Å; F302-L307 HydrophobicContact CG-CD2 4.13Å; Y303-L307 PolarHBondContact O-N 2.87Å; L304-L307 WeakPolarHBondContact O-CB 3.44Å; L304-L307 PolarHBondContact O-N 3.09Å; L304-L307 VanDerWaalsContact O-N 3.16Å; L307-K324 WeakPolarHBondContact O-CD 3.42Å; L307-K324 WeakPolarHBondContact O-CE 3.32Å; L307-K324 PolarHBondContact O-NZ 3.23Å; L307-K324 VanDerWaalsContact O-NZ 3.15Å; L307-L325 HydrophobicContact CB-CD2 4.23Å; L307-L325 HydrophobicContact CD1-CD2 4.44Å; L307-W328 HydrophobicContact CD1-CD2 4.09Å; L307-W328 HydrophobicContact CD1-CE3 4.29Å; L307-W328 HydrophobicContact CD1-CH2 4.13Å; L307-W328 HydrophobicContact CD1-CZ2 3.88Å; L307-W328 HydrophobicContact CD1-CZ3 4.32Å; L307-W328 HydrophobicContact CD2-CD2 4.18Å; L307-W328 HydrophobicContact CD2-CG 4.22Å; L307-W328 HydrophobicContact CD2-CZ2 4.09Å
308	L	84.3	Confident	79.7	Confident	21 Å²	21	70.7 Å²	70.7	11%	0.11	36%	0.361	C	S	.	.	H	α-helix	trans	-91.6	-6.2	-177.4	-65.2	-176.9	0	0	0	113.3	L262 L304 N305 D306 I310 T321 K324 L325	L262-L308 HydrophobicContact CD1-CD1 4.23Å; L262-L308 HydrophobicContact CD2-CD1 3.96Å; L304-L308 HydrophobicContact CG-CD1 4.14Å; L304-L308 HydrophobicContact CG-CG 4.49Å; L304-L308 WeakPolarHBondContact O-CG 3.43Å; L304-L308 PolarHBondContact O-N 3.16Å; L304-L308 VanDerWaalsContact O-N 3.11Å; N305-L308 PolarHBondContact O-N 3.38Å; D306-L308 PolarHBondContact O-N 3.08Å; L308-I310 HydrophobicContact CB-CD1 4.15Å; L308-I310 HydrophobicContact CB-CG1 3.53Å; L308-I310 HydrophobicContact CD1-CD1 4.34Å; L308-I310 PolarHBondContact O-N 3.14Å; L308-T321 HydrophobicContact CD1-CG2 4.35Å; L308-T321 HydrophobicContact CD2-CG2 3.52Å; L308-K324 PolarHBondContact O-NZ 2.52Å; L308-L325 HydrophobicContact CD2-CD1 4.1Å; L308-L325 HydrophobicContact CD2-CD2 3.87Å; L308-L325 HydrophobicContact CD2-CG 3.81Å
309	D	73.2	Confident	79.2	Confident	111 Å²	111	75.9 Å²	75.9	59%	0.594	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.2	51.6	-170.9	-62.4	-41.1	0	0	0	110.6	N305 D306 T311 K324	N305-D309 PolarHBondContact O-N 3.36Å; D306-D309 PolarHBondContact O-N 2.87Å; D309-T311 PolarHBondContact O-N 3.47Å; D309-K324 VanDerWaalsContact CB-NZ 3.25Å; D309-K324 IonicContact OD2-NZ 3.82Å; D309-K324 PolarHBondContact OD2-NZ 2.88Å
310	I	61.1	Low	78.7	Confident	59 Å²	59	83.4 Å²	83.4	30%	0.303	43%	0.425	S	S	.	.			trans	-63.3	94.9	-170.8	-56	178.3	0	0	0	109.8	N305 L308 H312 P315	N305-I310 HydrophobicContact CB-CD1 3.86Å; N305-I310 PolarHBondContact O-N 3.5Å; N305-I310 VanDerWaalsContact OD1-CD1 3.23Å; N305-I310 WeakPolarHBondContact OD1-CD1 3.41Å; L308-I310 HydrophobicContact CB-CD1 4.15Å; L308-I310 HydrophobicContact CB-CG1 3.53Å; L308-I310 HydrophobicContact CD1-CD1 4.34Å; L308-I310 PolarHBondContact O-N 3.14Å; I310-H312 WeakPolarHBondContact CG2-O 3.38Å; I310-P315 HydrophobicContact CD1-CB 3.92Å; I310-P315 HydrophobicContact CD1-CG 4.01Å; I310-P315 HydrophobicContact CG1-CB 4.33Å; I310-P315 HydrophobicContact CG2-CB 4.3Å
311	T	57.5	Low	78.2	Confident	122 Å²	122	81.2 Å²	81.2	75%	0.748	42%	0.419	S	S	*	.			trans	-92.5	-9.9	166.6	55.5	0	0	0	0	112.2	D309	D309-T311 PolarHBondContact O-N 3.47Å
312	H	52.8	Low	78.1	Confident	145 Å²	145	81.2 Å²	81.2	67%	0.671	42%	0.422	S	S	*	.	S	Bend	trans	-98.9	135.6	-177.1	-70.3	-64.7	0	0	0	112	I310 T314	I310-H312 WeakPolarHBondContact CG2-O 3.38Å; H312-T314 PolarHBondContact O-N 2.98Å
313	D	60	Low	77.9	Confident	171 Å²	171	82.9 Å²	82.9	91%	0.914	43%	0.432	S	S	*	.	S	Bend	trans	-57.9	-16.1	-177.8	-67.3	-36.8	0	0	0	114.8
314	T	60.1	Low	77.9	Confident	101 Å²	101	83 Å²	83	62%	0.62	43%	0.434	S	S	*	.	S	Bend	trans	-142.9	102.9	173.8	27.8	0	0	0	0	110.9	H312 K316	H312-T314 PolarHBondContact O-N 2.98Å; T314-K316 PolarHBondContact O-N 2.93Å
315	P	62.3	Low	78.2	Confident	44 Å²	44	83 Å²	83	29%	0.286	43%	0.434	S	S	.	.			trans	-67.2	134.2	177.1	30.6	-36.3	0	0	0	109.8	L262 I310	L262-P315 HydrophobicContact CB-CG 4.26Å; L262-P315 HydrophobicContact CD1-CB 3.7Å; L262-P315 HydrophobicContact CD1-CG 4.16Å; I310-P315 HydrophobicContact CD1-CB 3.92Å; I310-P315 HydrophobicContact CD1-CG 4.01Å; I310-P315 HydrophobicContact CG1-CB 4.33Å; I310-P315 HydrophobicContact CG2-CB 4.3Å
316	K	71.4	Confident	78.6	Confident	152 Å²	152	80 Å²	80	66%	0.661	42%	0.42	S	S	*	.			trans	-124	138.1	177.3	-70.1	180	-177.8	174.2	0	109.1	T314 D318 T321	T314-K316 PolarHBondContact O-N 2.93Å; K316-D318 VanDerWaalsContact C-N 3.3Å; K316-D318 PolarHBondContact O-N 3.19Å; K316-T321 PolarHBondContact O-OG1 3.24Å
317	L	76.8	Confident	79	Confident	52 Å²	52	80.8 Å²	80.8	27%	0.272	42%	0.419	S	S	.	.			trans	-73.1	88.4	169.1	-85.5	131.1	0	0	0	109.5	V257 K258 L262	V257-L317 HydrophobicContact CG1-CD1 4.47Å; V257-L317 HydrophobicContact CG1-CD2 3.97Å; K258-L317 HydrophobicContact CB-CD1 4.15Å; K258-L317 HydrophobicContact CB-CD2 4.27Å; K258-L317 HydrophobicContact CG-CD1 4.43Å; L262-L317 HydrophobicContact CD1-CD1 4.18Å; L262-L317 HydrophobicContact CD1-CG 4.17Å; L262-L317 HydrophobicContact CD2-CD1 3.93Å; L262-L317 HydrophobicContact CD2-CG 4.16Å; L262-L317 HydrophobicContact CG-CD1 3.78Å; L262-L317 HydrophobicContact CG-CG 4.23Å
318	D	84.8	Confident	79.4	Confident	74 Å²	74	81.3 Å²	81.3	40%	0.396	42%	0.42	S	S	.	.			trans	-105	-179.2	170	57.4	16.7	0	0	0	111.4	K316 E320 T321 N322	K316-D318 VanDerWaalsContact C-N 3.3Å; K316-D318 PolarHBondContact O-N 3.19Å; D318-E320 VanDerWaalsContact C-N 3.27Å; D318-E320 PolarHBondContact O-N 3.3Å; D318-E320 PolarHBondContact OD1-N 2.74Å; D318-T321 PolarHBondContact O-N 3.38Å; D318-T321 WeakPolarHBondContact OD1-CB 2.93Å; D318-T321 PolarHBondContact OD1-N 3.13Å; D318-T321 PolarHBondContact OD1-OG1 3.22Å; D318-N322 WeakPolarHBondContact O-CB 3.25Å; D318-N322 VanDerWaalsContact O-CG 3.23Å; D318-N322 PolarHBondContact O-N 3.35Å; D318-N322 PolarHBondContact O-ND2 2.97Å; D318-N322 VanDerWaalsContact O-ND2 3.1Å
319	D	86.9	Confident	80	Confident	129 Å²	129	80.4 Å²	80.4	69%	0.69	42%	0.415	S	S	*	.	H	α-helix	trans	-64.6	-32.6	-178.6	-69.3	-26	0	0	0	112.2	N322 D323	D319-N322 PolarHBondContact O-N 2.9Å; D319-D323 WeakPolarHBondContact O-CB 3.43Å; D319-D323 PolarHBondContact O-N 3.13Å
320	E	87.2	Confident	81.2	Confident	157 Å²	157	76.2 Å²	76.2	73%	0.734	39%	0.391	S	S	*	.	H	α-helix	trans	-66.4	-48.9	176.2	-177.7	175.4	177.3	0	0	111.4	D318 N322 D323 K324	D318-E320 VanDerWaalsContact C-N 3.27Å; D318-E320 PolarHBondContact O-N 3.3Å; D318-E320 PolarHBondContact OD1-N 2.74Å; E320-N322 VanDerWaalsContact C-N 3.31Å; E320-N322 PolarHBondContact O-N 3.3Å; E320-D323 PolarHBondContact O-N 3.23Å; E320-K324 WeakPolarHBondContact O-CB 3.39Å; E320-K324 PolarHBondContact O-N 3.22Å
321	T	87.8	Confident	83	Confident	23 Å²	23	77 Å²	77	14%	0.141	40%	0.396	C	S	.	.	H	α-helix	trans	-59.1	-43	175.7	-64.5	0	0	0	0	111.6	L308 K316 D318 K324 L325	L308-T321 HydrophobicContact CD1-CG2 4.35Å; L308-T321 HydrophobicContact CD2-CG2 3.52Å; K316-T321 PolarHBondContact O-OG1 3.24Å; D318-T321 PolarHBondContact O-N 3.38Å; D318-T321 WeakPolarHBondContact OD1-CB 2.93Å; D318-T321 PolarHBondContact OD1-N 3.13Å; D318-T321 PolarHBondContact OD1-OG1 3.22Å; T321-K324 PolarHBondContact O-N 3.29Å; T321-L325 HydrophobicContact CG2-CD1 4.19Å; T321-L325 WeakPolarHBondContact O-CB 3.33Å; T321-L325 WeakPolarHBondContact O-CG 3.41Å; T321-L325 PolarHBondContact O-N 3.32Å
322	N	92	Very high	84.9	Confident	33 Å²	33	72.5 Å²	72.5	18%	0.176	37%	0.366	C	S	.	.	H	α-helix	trans	-64.2	-40.9	177.4	-73.6	-33.3	0	0	0	112.6	L254 D318 D319 E320 S326	L254-N322 HydrophobicContact CD1-CB 3.98Å; L254-N322 HydrophobicContact CD2-CB 4.47Å; D318-N322 WeakPolarHBondContact O-CB 3.25Å; D318-N322 VanDerWaalsContact O-CG 3.23Å; D318-N322 PolarHBondContact O-N 3.35Å; D318-N322 PolarHBondContact O-ND2 2.97Å; D318-N322 VanDerWaalsContact O-ND2 3.1Å; D319-N322 PolarHBondContact O-N 2.9Å; E320-N322 VanDerWaalsContact C-N 3.31Å; E320-N322 PolarHBondContact O-N 3.3Å; N322-S326 VanDerWaalsContact O-CB 3.28Å; N322-S326 WeakPolarHBondContact O-CB 3.41Å; N322-S326 PolarHBondContact O-N 3.36Å; N322-S326 PolarHBondContact O-OG 3.05Å
323	D	92.4	Very high	87	Confident	76 Å²	76	65.7 Å²	65.7	41%	0.406	33%	0.334	S	S	.	.	H	α-helix	trans	-66	-44.4	176.4	-178.9	55.7	0	0	0	111.1	D319 E320 L325 S326 K327	D319-D323 WeakPolarHBondContact O-CB 3.43Å; D319-D323 PolarHBondContact O-N 3.13Å; E320-D323 PolarHBondContact O-N 3.23Å; D323-L325 PolarHBondContact O-N 2.88Å; D323-S326 PolarHBondContact O-N 3.26Å; D323-K327 WeakPolarHBondContact O-CB 3.17Å; D323-K327 WeakPolarHBondContact O-CG 3.43Å; D323-K327 PolarHBondContact O-N 3.27Å; D323-K327 WeakPolarHBondContact OD1-CE 3.28Å; D323-K327 IonicContact OD1-NZ 3.13Å; D323-K327 WeakPolarHBondContact OD2-CE 3.23Å; D323-K327 IonicContact OD2-NZ 2.73Å; D323-K327 PolarHBondContact OD2-NZ 2.85Å
324	K	92.9	Very high	88.9	Confident	64 Å²	64	58.7 Å²	58.7	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-58.5	-50.9	176.4	-169.4	-179.2	-169.9	-173.7	0	112.2	L307 L308 D309 E320 T321 S326 K327 W328	L307-K324 WeakPolarHBondContact O-CD 3.42Å; L307-K324 WeakPolarHBondContact O-CE 3.32Å; L307-K324 PolarHBondContact O-NZ 3.23Å; L307-K324 VanDerWaalsContact O-NZ 3.15Å; L308-K324 PolarHBondContact O-NZ 2.52Å; D309-K324 VanDerWaalsContact CB-NZ 3.25Å; D309-K324 IonicContact OD2-NZ 3.82Å; D309-K324 PolarHBondContact OD2-NZ 2.88Å; E320-K324 WeakPolarHBondContact O-CB 3.39Å; E320-K324 PolarHBondContact O-N 3.22Å; T321-K324 PolarHBondContact O-N 3.29Å; K324-S326 VanDerWaalsContact C-N 3.32Å; K324-S326 PolarHBondContact O-N 3.07Å; K324-K327 PolarHBondContact O-N 3.46Å; K324-W328 WeakPolarHBondContact O-CB 3.39Å; K324-W328 PolarHBondContact O-N 3.17Å
325	L	95.3	Very high	90.7	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-35.5	177.7	-73.8	178.5	0	0	0	112.3	F253 L254 V257 L304 L307 L308 T321 D323 L329	F253-L325 HydrophobicContact CE1-CB 4.14Å; L254-L325 HydrophobicContact CD2-CB 3.63Å; L254-L325 HydrophobicContact CD2-CD1 4.09Å; V257-L325 HydrophobicContact CG1-CD1 4.09Å; V257-L325 HydrophobicContact CG2-CD1 4.47Å; L304-L325 HydrophobicContact CD1-CD2 4.27Å; L307-L325 HydrophobicContact CB-CD2 4.23Å; L307-L325 HydrophobicContact CD1-CD2 4.44Å; L308-L325 HydrophobicContact CD2-CD1 4.1Å; L308-L325 HydrophobicContact CD2-CD2 3.87Å; L308-L325 HydrophobicContact CD2-CG 3.81Å; T321-L325 HydrophobicContact CG2-CD1 4.19Å; T321-L325 WeakPolarHBondContact O-CB 3.33Å; T321-L325 WeakPolarHBondContact O-CG 3.41Å; T321-L325 PolarHBondContact O-N 3.32Å; D323-L325 PolarHBondContact O-N 2.88Å; L325-L329 WeakPolarHBondContact O-CB 3.36Å; L325-L329 PolarHBondContact O-N 2.95Å
326	S	95.7	Very high	92.4	Very high	26 Å²	26	54.5 Å²	54.5	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-45.8	175	-66	0	0	0	0	112.1	S250 L254 N322 D323 K324 L329 Q330	S250-S326 VanDerWaalsContact CB-OG 3.25Å; S250-S326 WeakPolarHBondContact CB-OG 3.45Å; S250-S326 PolarHBondContact OG-OG 3.08Å; L254-S326 WeakPolarHBondContact CD1-OG 3.3Å; N322-S326 VanDerWaalsContact O-CB 3.28Å; N322-S326 WeakPolarHBondContact O-CB 3.41Å; N322-S326 PolarHBondContact O-N 3.36Å; N322-S326 PolarHBondContact O-OG 3.05Å; D323-S326 PolarHBondContact O-N 3.26Å; K324-S326 VanDerWaalsContact C-N 3.32Å; K324-S326 PolarHBondContact O-N 3.07Å; S326-L329 PolarHBondContact O-N 2.83Å; S326-Q330 WeakPolarHBondContact O-CB 3.44Å; S326-Q330 PolarHBondContact O-N 2.97Å
327	K	95.7	Very high	93.7	Very high	117 Å²	117	48.1 Å²	48.1	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-62.9	-44	176	-75.7	171.2	176	166.6	0	111.5	D323 K324 L329 Q330 N331	D323-K327 WeakPolarHBondContact O-CB 3.17Å; D323-K327 WeakPolarHBondContact O-CG 3.43Å; D323-K327 PolarHBondContact O-N 3.27Å; D323-K327 WeakPolarHBondContact OD1-CE 3.28Å; D323-K327 IonicContact OD1-NZ 3.13Å; D323-K327 WeakPolarHBondContact OD2-CE 3.23Å; D323-K327 IonicContact OD2-NZ 2.73Å; D323-K327 PolarHBondContact OD2-NZ 2.85Å; K324-K327 PolarHBondContact O-N 3.46Å; K327-L329 PolarHBondContact O-N 3.02Å; K327-Q330 PolarHBondContact O-N 3.43Å; K327-N331 WeakPolarHBondContact O-CB 3.47Å; K327-N331 VanDerWaalsContact O-CG 3.22Å; K327-N331 PolarHBondContact O-N 2.69Å; K327-N331 PolarHBondContact O-ND2 2.8Å
328	W	96.7	Very high	94.7	Very high	30 Å²	30	49.8 Å²	49.8	11%	0.114	25%	0.248	C	C	.	.	H	α-helix	trans	-57.2	-49.3	174.7	173.6	86	0	0	0	111.7	L138 F253 V268 F302 L307 K324 Q330 N331 R332	L138-W328 HydrophobicContact CD1-CH2 4.19Å; L138-W328 HydrophobicContact CD1-CZ3 3.95Å; F253-W328 HydrophobicContact CE1-CE3 4.49Å; F253-W328 HydrophobicContact CE1-CZ3 4.43Å; F253-W328 HydrophobicContact CZ-CZ3 4.11Å; V268-W328 HydrophobicContact CB-CH2 4.28Å; V268-W328 HydrophobicContact CG1-CH2 3.66Å; V268-W328 HydrophobicContact CG1-CZ3 4.06Å; F302-W328 HydrophobicContact CB-CZ2 4.32Å; F302-W328 HydrophobicContact CD1-CZ2 4.29Å; F302-W328 HydrophobicContact CD2-CH2 4.41Å; F302-W328 AromaticContact CD2-CZ2 3.65Å; F302-W328 HydrophobicContact CD2-CZ2 3.65Å; F302-W328 AromaticContact CE2-CZ2 4Å; F302-W328 HydrophobicContact CE2-CZ2 4Å; F302-W328 AromaticContact CG-CZ2 3.81Å; F302-W328 HydrophobicContact CG-CZ2 3.81Å; F302-W328 HydrophobicContact CZ-CZ2 4.47Å; L307-W328 HydrophobicContact CD1-CD2 4.09Å; L307-W328 HydrophobicContact CD1-CE3 4.29Å; L307-W328 HydrophobicContact CD1-CH2 4.13Å; L307-W328 HydrophobicContact CD1-CZ2 3.88Å; L307-W328 HydrophobicContact CD1-CZ3 4.32Å; L307-W328 HydrophobicContact CD2-CD2 4.18Å; L307-W328 HydrophobicContact CD2-CG 4.22Å; L307-W328 HydrophobicContact CD2-CZ2 4.09Å; K324-W328 WeakPolarHBondContact O-CB 3.39Å; K324-W328 PolarHBondContact O-N 3.17Å; W328-Q330 VanDerWaalsContact C-N 3.33Å; W328-Q330 PolarHBondContact O-N 3.23Å; W328-N331 PolarHBondContact O-N 2.78Å; W328-R332 HydrophobicContact CD2-CG 4.12Å; W328-R332 HydrophobicContact CH2-CG 4.25Å; W328-R332 HydrophobicContact CZ2-CG 3.76Å; W328-R332 WeakPolarHBondContact O-CG 3.2Å; W328-R332 PolarHBondContact O-N 2.99Å
329	L	98.1	Very high	95.3	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-43	178.9	-179.9	65.9	0	0	0	111.8	L138 P217 P248 F253 L325 S326 K327 R332 W333	L138-L329 HydrophobicContact CD1-CD1 3.78Å; P217-L329 HydrophobicContact CB-CD1 4.32Å; P217-L329 HydrophobicContact CB-CD2 4.31Å; P217-L329 HydrophobicContact CG-CD1 4.24Å; P248-L329 HydrophobicContact CB-CD1 4.5Å; P248-L329 HydrophobicContact CB-CD2 4.06Å; P248-L329 HydrophobicContact CB-CG 3.97Å; P248-L329 HydrophobicContact CG-CD2 4.5Å; P248-L329 HydrophobicContact CG-CG 4.04Å; F253-L329 HydrophobicContact CB-CD2 4.13Å; F253-L329 HydrophobicContact CD1-CD2 3.93Å; F253-L329 HydrophobicContact CG-CD2 4.24Å; L325-L329 WeakPolarHBondContact O-CB 3.36Å; L325-L329 PolarHBondContact O-N 2.95Å; S326-L329 PolarHBondContact O-N 2.83Å; K327-L329 PolarHBondContact O-N 3.02Å; L329-R332 PolarHBondContact O-N 2.81Å; L329-W333 HydrophobicContact CD1-CE3 3.78Å; L329-W333 HydrophobicContact CD1-CH2 4.49Å; L329-W333 HydrophobicContact CD1-CZ3 3.53Å; L329-W333 HydrophobicContact CG-CE3 4.47Å; L329-W333 PolarHBondContact O-N 3.05Å
330	Q	97.9	Very high	95.9	Very high	22 Å²	22	41.6 Å²	41.6	10%	0.103	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-45.5	177.4	-176.2	61.4	52.3	0	0	111.6	L239 H247 S326 K327 W328 R332 W333 L334	L239-Q330 HydrophobicContact CD1-CG 4.42Å; L239-Q330 HydrophobicContact CD2-CG 3.96Å; H247-Q330 PolarHBondContact ND1-NE2 3.35Å; H247-Q330 VanDerWaalsContact ND1-NE2 3.15Å; S326-Q330 WeakPolarHBondContact O-CB 3.44Å; S326-Q330 PolarHBondContact O-N 2.97Å; K327-Q330 PolarHBondContact O-N 3.43Å; W328-Q330 VanDerWaalsContact C-N 3.33Å; W328-Q330 PolarHBondContact O-N 3.23Å; Q330-R332 PolarHBondContact O-N 3.5Å; Q330-W333 PolarHBondContact O-N 2.99Å; Q330-L334 PolarHBondContact O-N 3.43Å; Q330-L334 VanDerWaalsContact O-N 3.13Å
331	N	97.8	Very high	96.4	Very high	75 Å²	75	39.8 Å²	39.8	40%	0.401	19%	0.193	S	C	.	.	H	α-helix	trans	-63	-41.4	178.1	-71.4	-14.4	0	0	0	111.7	K327 W328 W333 L334 E335	K327-N331 WeakPolarHBondContact O-CB 3.47Å; K327-N331 VanDerWaalsContact O-CG 3.22Å; K327-N331 PolarHBondContact O-N 2.69Å; K327-N331 PolarHBondContact O-ND2 2.8Å; W328-N331 PolarHBondContact O-N 2.78Å; N331-W333 VanDerWaalsContact C-N 3.29Å; N331-W333 PolarHBondContact O-N 2.98Å; N331-L334 PolarHBondContact O-N 2.97Å; N331-E335 PolarHBondContact O-N 2.8Å
332	R	97.9	Very high	96.8	Very high	29 Å²	29	45.1 Å²	45.1	11%	0.109	22%	0.217	C	C	.	.	H	α-helix	trans	-58.1	-41.4	174.4	-74.5	-67.5	90.7	104.4	-0.4	112.1	F302 W328 L329 Q330 E335 K336	F302-R332 VanDerWaalsContact CE1-NH1 3.28Å; F302-R332 VanDerWaalsContact CZ-NH1 3.25Å; W328-R332 HydrophobicContact CD2-CG 4.12Å; W328-R332 HydrophobicContact CH2-CG 4.25Å; W328-R332 HydrophobicContact CZ2-CG 3.76Å; W328-R332 WeakPolarHBondContact O-CG 3.2Å; W328-R332 PolarHBondContact O-N 2.99Å; L329-R332 PolarHBondContact O-N 2.81Å; Q330-R332 PolarHBondContact O-N 3.5Å; R332-E335 IonicContact CZ-OE2 3.88Å; R332-E335 IonicContact NE-OE2 3.71Å; R332-E335 PolarHBondContact NE-OE2 2.91Å; R332-E335 IonicContact NH2-OE2 2.9Å; R332-E335 PolarHBondContact NH2-OE2 3.23Å; R332-E335 PolarHBondContact O-N 3.07Å; R332-K336 WeakPolarHBondContact O-CG 3.41Å; R332-K336 PolarHBondContact O-N 2.89Å
333	W	98.3	Very high	97.1	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-68.4	-35.6	176.9	-108.6	-102.3	0	0	0	113.9	L138 N140 P217 E218 L246 P248 L329 Q330 N331 E335 K336 E337	L138-W333 HydrophobicContact CB-CH2 4.17Å; L138-W333 HydrophobicContact CB-CZ3 4.33Å; N140-W333 HydrophobicContact CB-CZ2 4.4Å; P217-W333 HydrophobicContact CB-CH2 3.81Å; P217-W333 HydrophobicContact CB-CZ2 3.99Å; P217-W333 HydrophobicContact CB-CZ3 4.26Å; P217-W333 VanDerWaalsContact CD-CH2 3.48Å; P217-W333 HydrophobicContact CG-CH2 3.39Å; P217-W333 HydrophobicContact CG-CZ2 3.98Å; P217-W333 HydrophobicContact CG-CZ3 3.95Å; E218-W333 HydrophobicContact CG-CZ2 4.15Å; E218-W333 VanDerWaalsContact CG-NE1 3.29Å; E218-W333 PolarHBondContact OE1-NE1 2.84Å; L246-W333 PolarHBondContact O-NE1 2.98Å; P248-W333 HydrophobicContact CB-CD2 3.83Å; P248-W333 HydrophobicContact CB-CE3 4.12Å; P248-W333 HydrophobicContact CB-CG 4.05Å; P248-W333 HydrophobicContact CG-CB 3.77Å; P248-W333 HydrophobicContact CG-CD2 3.92Å; P248-W333 HydrophobicContact CG-CE3 4.22Å; P248-W333 HydrophobicContact CG-CG 3.72Å; L329-W333 HydrophobicContact CD1-CE3 3.78Å; L329-W333 HydrophobicContact CD1-CH2 4.49Å; L329-W333 HydrophobicContact CD1-CZ3 3.53Å; L329-W333 HydrophobicContact CG-CE3 4.47Å; L329-W333 PolarHBondContact O-N 3.05Å; Q330-W333 PolarHBondContact O-N 2.99Å; N331-W333 VanDerWaalsContact C-N 3.29Å; N331-W333 PolarHBondContact O-N 2.98Å; W333-E335 VanDerWaalsContact C-N 3.3Å; W333-K336 PolarHBondContact O-N 3.13Å; W333-E337 WeakPolarHBondContact O-CB 3.46Å; W333-E337 PolarHBondContact O-N 3.14Å
334	L	98.3	Very high	97.3	Very high	25 Å²	25	41.1 Å²	41.1	13%	0.131	19%	0.193	C	C	.	.	H	α-helix	trans	-65.5	-36.8	172.6	-64.8	-179.3	0	0	0	111.6	P240 V242 Q330 N331 E337 N338	P240-L334 HydrophobicContact CG-CD1 4.5Å; P240-L334 HydrophobicContact CG-CD2 3.68Å; V242-L334 HydrophobicContact CG1-CD2 4.27Å; Q330-L334 PolarHBondContact O-N 3.43Å; Q330-L334 VanDerWaalsContact O-N 3.13Å; N331-L334 PolarHBondContact O-N 2.97Å; L334-E337 WeakPolarHBondContact O-CB 3.4Å; L334-E337 PolarHBondContact O-N 2.83Å; L334-N338 PolarHBondContact O-N 3.2Å; L334-N338 PolarHBondContact O-ND2 3.15Å
335	E	98.2	Very high	97.5	Very high	56 Å²	56	41.9 Å²	41.9	26%	0.262	21%	0.212	S	C	.	.	H	α-helix	trans	-68.3	-43	174	-167.9	179.5	175.8	0	0	112	R300 N331 R332 W333 E337 N338 I339	R300-E335 IonicContact CZ-OE1 3.38Å; R300-E335 IonicContact NH1-OE1 2.64Å; R300-E335 PolarHBondContact NH1-OE1 3.29Å; R300-E335 IonicContact NH1-OE2 3.41Å; R300-E335 PolarHBondContact NH1-OE2 2.97Å; R300-E335 IonicContact NH2-OE1 3.24Å; R300-E335 PolarHBondContact NH2-OE1 3.39Å; N331-E335 PolarHBondContact O-N 2.8Å; R332-E335 IonicContact CZ-OE2 3.88Å; R332-E335 IonicContact NE-OE2 3.71Å; R332-E335 PolarHBondContact NE-OE2 2.91Å; R332-E335 IonicContact NH2-OE2 2.9Å; R332-E335 PolarHBondContact NH2-OE2 3.23Å; R332-E335 PolarHBondContact O-N 3.07Å; W333-E335 VanDerWaalsContact C-N 3.3Å; E335-E337 VanDerWaalsContact C-N 3.29Å; E335-E337 PolarHBondContact O-N 3.25Å; E335-N338 PolarHBondContact O-N 3.38Å; E335-N338 VanDerWaalsContact O-N 3.16Å; E335-I339 HydrophobicContact CG-CD1 3.93Å; E335-I339 HydrophobicContact CG-CG1 4.45Å; E335-I339 WeakPolarHBondContact O-CB 3.36Å; E335-I339 WeakPolarHBondContact O-CG1 2.92Å; E335-I339 PolarHBondContact O-N 3.46Å
336	K	98.1	Very high	97.5	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-57.5	-42.4	173	-74	-167.7	179.4	170	0	112.4	L138 N140 T245 D270 V271 T272 R332 W333 N338 I339 L340	L138-K336 PolarHBondContact O-NZ 3.4Å; L138-K336 VanDerWaalsContact O-NZ 3.14Å; N140-K336 HydrophobicContact CB-CD 4.32Å; T245-K336 HydrophobicContact CG2-CB 4.29Å; D270-K336 WeakPolarHBondContact OD1-CE 3.29Å; D270-K336 IonicContact OD1-NZ 2.68Å; D270-K336 PolarHBondContact OD1-NZ 2.79Å; D270-K336 WeakPolarHBondContact OD2-CE 3.32Å; D270-K336 IonicContact OD2-NZ 2.93Å; V271-K336 WeakPolarHBondContact O-CE 3.46Å; V271-K336 PolarHBondContact O-NZ 2.97Å; T272-K336 WeakPolarHBondContact OG1-CD 3.25Å; T272-K336 WeakPolarHBondContact OG1-CE 3.26Å; T272-K336 WeakPolarHBondContact OG1-CG 3.13Å; R332-K336 WeakPolarHBondContact O-CG 3.41Å; R332-K336 PolarHBondContact O-N 2.89Å; W333-K336 PolarHBondContact O-N 3.13Å; K336-N338 VanDerWaalsContact C-N 3.32Å; K336-N338 PolarHBondContact O-N 3.05Å; K336-I339 PolarHBondContact O-N 3.46Å; K336-L340 WeakPolarHBondContact O-CB 3.22Å; K336-L340 VanDerWaalsContact O-CG 3.28Å; K336-L340 WeakPolarHBondContact O-CG 3.48Å; K336-L340 PolarHBondContact O-N 3.5Å
337	E	98.4	Very high	97.5	Very high	18 Å²	18	47.9 Å²	47.9	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-55.4	-49	175.3	178.5	68	-166.9	0	0	111	V242 R243 Y244 T245 W333 L334 E335 L340 K341	V242-E337 HydrophobicContact CB-CG 4.23Å; V242-E337 HydrophobicContact CG1-CB 4.35Å; V242-E337 HydrophobicContact CG1-CG 3.98Å; R243-E337 PolarHBondContact N-OE1 3.16Å; Y244-E337 WeakPolarHBondContact CA-OE2 3.28Å; Y244-E337 WeakPolarHBondContact CB-OE2 3.4Å; Y244-E337 WeakPolarHBondContact CD2-OE1 3.31Å; Y244-E337 VanDerWaalsContact N-CD 3.35Å; Y244-E337 PolarHBondContact N-OE1 3.4Å; Y244-E337 PolarHBondContact N-OE2 3.42Å; T245-E337 PolarHBondContact N-OE2 2.84Å; T245-E337 PolarHBondContact OG1-OE2 2.96Å; W333-E337 WeakPolarHBondContact O-CB 3.46Å; W333-E337 PolarHBondContact O-N 3.14Å; L334-E337 WeakPolarHBondContact O-CB 3.4Å; L334-E337 PolarHBondContact O-N 2.83Å; E335-E337 VanDerWaalsContact C-N 3.29Å; E335-E337 PolarHBondContact O-N 3.25Å; E337-L340 PolarHBondContact O-N 3.11Å; E337-K341 WeakPolarHBondContact O-CB 3.35Å; E337-K341 PolarHBondContact O-N 3.49Å
338	N	98.2	Very high	97.3	Very high	87 Å²	87	46 Å²	46	47%	0.465	24%	0.241	S	C	.	.	H	α-helix	trans	-66	-45.8	178.8	-70.2	-26.5	0	0	0	112.1	L334 E335 K336 L340 K341 E342	L334-N338 PolarHBondContact O-N 3.2Å; L334-N338 PolarHBondContact O-ND2 3.15Å; E335-N338 PolarHBondContact O-N 3.38Å; E335-N338 VanDerWaalsContact O-N 3.16Å; K336-N338 VanDerWaalsContact C-N 3.32Å; K336-N338 PolarHBondContact O-N 3.05Å; N338-L340 VanDerWaalsContact C-N 3.33Å; N338-L340 PolarHBondContact O-N 3.04Å; N338-K341 WeakPolarHBondContact O-CB 3.41Å; N338-K341 PolarHBondContact O-N 2.94Å; N338-K341 VanDerWaalsContact O-N 3.16Å; N338-E342 WeakPolarHBondContact O-CG 3.4Å; N338-E342 PolarHBondContact O-N 3.03Å
339	I	98	Very high	97	Very high	28 Å²	28	48.3 Å²	48.3	14%	0.144	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-45.4	177.1	-72.9	169.5	0	0	0	110.8	E335 K336 E342 Y343 F353	E335-I339 HydrophobicContact CG-CD1 3.93Å; E335-I339 HydrophobicContact CG-CG1 4.45Å; E335-I339 WeakPolarHBondContact O-CB 3.36Å; E335-I339 WeakPolarHBondContact O-CG1 2.92Å; E335-I339 PolarHBondContact O-N 3.46Å; K336-I339 PolarHBondContact O-N 3.46Å; I339-E342 PolarHBondContact O-N 2.91Å; I339-Y343 WeakPolarHBondContact O-CB 3.49Å; I339-Y343 PolarHBondContact O-N 2.68Å; I339-F353 HydrophobicContact CG2-CD1 3.96Å; I339-F353 HydrophobicContact CG2-CE1 3.56Å
340	L	98.5	Very high	96.8	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-67	-39.8	177.7	-72.5	171.7	0	0	0	111.3	Y244 T245 T272 A274 K336 E337 N338 Y343 Y344 F353	Y244-L340 HydrophobicContact CD1-CB 4.16Å; Y244-L340 HydrophobicContact CG-CB 4.08Å; T245-L340 HydrophobicContact CG2-CD1 3.71Å; T272-L340 HydrophobicContact CG2-CD1 4.16Å; T272-L340 HydrophobicContact CG2-CD2 3.51Å; T272-L340 HydrophobicContact CG2-CG 3.72Å; A274-L340 HydrophobicContact CB-CD2 3.92Å; K336-L340 WeakPolarHBondContact O-CB 3.22Å; K336-L340 VanDerWaalsContact O-CG 3.28Å; K336-L340 WeakPolarHBondContact O-CG 3.48Å; K336-L340 PolarHBondContact O-N 3.5Å; E337-L340 PolarHBondContact O-N 3.11Å; N338-L340 VanDerWaalsContact C-N 3.33Å; N338-L340 PolarHBondContact O-N 3.04Å; L340-Y343 PolarHBondContact O-N 3.18Å; L340-Y344 HydrophobicContact CB-CD2 4.23Å; L340-Y344 HydrophobicContact CB-CE2 4.21Å; L340-Y344 HydrophobicContact CD2-CE2 3.84Å; L340-Y344 WeakPolarHBondContact O-CB 3.46Å; L340-Y344 WeakPolarHBondContact O-CD2 3.35Å; L340-Y344 PolarHBondContact O-N 3.5Å; L340-F353 HydrophobicContact CD2-CZ 4.27Å
341	K	97.7	Very high	96.8	Very high	120 Å²	120	56.4 Å²	56.4	52%	0.522	31%	0.308	S	S	.	.	H	α-helix	trans	-58.7	-48.4	175.8	-177.1	179.6	178.7	-175.5	0	111.8	Y244 E337 N338 A345	Y244-K341 HydrophobicContact CD2-CB 3.91Å; Y244-K341 HydrophobicContact CD2-CG 4.47Å; Y244-K341 HydrophobicContact CE2-CB 3.6Å; Y244-K341 HydrophobicContact CE2-CD 4.42Å; Y244-K341 HydrophobicContact CE2-CG 3.73Å; E337-K341 WeakPolarHBondContact O-CB 3.35Å; E337-K341 PolarHBondContact O-N 3.49Å; N338-K341 WeakPolarHBondContact O-CB 3.41Å; N338-K341 PolarHBondContact O-N 2.94Å; N338-K341 VanDerWaalsContact O-N 3.16Å; K341-A345 WeakPolarHBondContact O-CB 3.3Å; K341-A345 PolarHBondContact O-N 3.12Å
342	E	97.5	Very high	96.7	Very high	135 Å²	135	55.7 Å²	55.7	63%	0.631	31%	0.308	S	S	*	.	H	α-helix	trans	-64.7	-44.2	176.1	-70.7	175.4	-167.6	0	0	111.9	N338 I339 Y344 A345 N346	N338-E342 WeakPolarHBondContact O-CG 3.4Å; N338-E342 PolarHBondContact O-N 3.03Å; I339-E342 PolarHBondContact O-N 2.91Å; E342-Y344 PolarHBondContact O-N 3.41Å; E342-A345 WeakPolarHBondContact O-CB 3.29Å; E342-A345 PolarHBondContact O-N 3.29Å; E342-N346 PolarHBondContact O-ND2 3.1Å; E342-N346 VanDerWaalsContact O-ND2 3.14Å
343	Y	98	Very high	96.7	Very high	7 Å²	7	55.1 Å²	55.1	3%	0.027	31%	0.307	C	S	.	.	H	α-helix	trans	-56.6	-48.2	176.9	177.8	-86.9	0	0	0	111.6	A274 P276 H296 I339 L340 N346 R351 F353	A274-Y343 HydrophobicContact CB-CD1 4.01Å; A274-Y343 HydrophobicContact CB-CE1 3.58Å; P276-Y343 VanDerWaalsContact CG-OH 3.26Å; P276-Y343 WeakPolarHBondContact CG-OH 3.29Å; H296-Y343 PolarHBondContact CE1-OH 2.84Å; H296-Y343 AromaticContact ND1-CE2 3.68Å; H296-Y343 AromaticContact ND1-CZ 3.62Å; H296-Y343 PolarHBondContact ND1-OH 3.21Å; I339-Y343 WeakPolarHBondContact O-CB 3.49Å; I339-Y343 PolarHBondContact O-N 2.68Å; L340-Y343 PolarHBondContact O-N 3.18Å; Y343-N346 PolarHBondContact O-N 2.82Å; Y343-R351 HydrophobicContact CD1-CB 4.33Å; Y343-R351 HydrophobicContact CE1-CB 3.7Å; Y343-R351 HydrophobicContact CE1-CG 4.25Å; Y343-R351 HydrophobicContact CE2-CB 4.03Å; Y343-F353 AromaticContact CD2-CD1 3.58Å; Y343-F353 HydrophobicContact CD2-CD1 3.58Å; Y343-F353 HydrophobicContact CD2-CD2 4.2Å; Y343-F353 AromaticContact CD2-CE1 3.36Å; Y343-F353 HydrophobicContact CD2-CE1 3.36Å; Y343-F353 HydrophobicContact CD2-CE2 4.06Å; Y343-F353 AromaticContact CD2-CG 4Å; Y343-F353 HydrophobicContact CD2-CG 4Å; Y343-F353 AromaticContact CD2-CZ 3.65Å; Y343-F353 HydrophobicContact CD2-CZ 3.65Å; Y343-F353 HydrophobicContact CE2-CD1 4.15Å; Y343-F353 AromaticContact CE2-CD2 3.93Å; Y343-F353 HydrophobicContact CE2-CD2 3.93Å; Y343-F353 HydrophobicContact CE2-CE1 4.01Å; Y343-F353 AromaticContact CE2-CE2 3.84Å; Y343-F353 HydrophobicContact CE2-CE2 3.84Å; Y343-F353 HydrophobicContact CE2-CG 4.11Å; Y343-F353 AromaticContact CE2-CZ 3.88Å; Y343-F353 HydrophobicContact CE2-CZ 3.88Å; Y343-F353 HydrophobicContact CG-CD1 4.38Å; Y343-F353 AromaticContact CG-CE1 3.78Å; Y343-F353 HydrophobicContact CG-CE1 3.78Å; Y343-F353 HydrophobicContact CG-CZ 4.02Å
344	Y	97.3	Very high	96.5	Very high	17 Å²	17	62.4 Å²	62.4	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-81.5	-13.7	-177.7	-69.6	-60.8	0	0	0	114.7	P42 Y244 A274 Y275 L340 E342 N346 R351	P42-Y344 HydrophobicContact CB-CD1 4.24Å; P42-Y344 HydrophobicContact CB-CD2 4.49Å; P42-Y344 HydrophobicContact CB-CG 4.07Å; P42-Y344 VanDerWaalsContact CD-CE2 3.47Å; P42-Y344 HydrophobicContact CG-CD1 3.58Å; P42-Y344 HydrophobicContact CG-CD2 3.86Å; P42-Y344 HydrophobicContact CG-CE1 3.7Å; P42-Y344 HydrophobicContact CG-CE2 3.97Å; P42-Y344 HydrophobicContact CG-CG 3.66Å; Y244-Y344 AromaticContact CD1-CD2 3.5Å; Y244-Y344 HydrophobicContact CD1-CD2 3.5Å; Y244-Y344 VanDerWaalsContact CD1-CD2 3.5Å; Y244-Y344 HydrophobicContact CD1-CE2 4.05Å; Y244-Y344 HydrophobicContact CD1-CG 4.46Å; Y244-Y344 AromaticContact CE1-CD2 3.55Å; Y244-Y344 HydrophobicContact CE1-CD2 3.55Å; Y244-Y344 HydrophobicContact CE1-CE2 4.48Å; Y244-Y344 HydrophobicContact CE1-CG 4.08Å; A274-Y344 WeakPolarHBondContact CA-OH 3.42Å; A274-Y344 WeakPolarHBondContact CB-OH 3.34Å; Y275-Y344 PolarHBondContact N-OH 3.49Å; Y275-Y344 WeakPolarHBondContact O-CE1 3.41Å; L340-Y344 HydrophobicContact CB-CD2 4.23Å; L340-Y344 HydrophobicContact CB-CE2 4.21Å; L340-Y344 HydrophobicContact CD2-CE2 3.84Å; L340-Y344 WeakPolarHBondContact O-CB 3.46Å; L340-Y344 WeakPolarHBondContact O-CD2 3.35Å; L340-Y344 PolarHBondContact O-N 3.5Å; E342-Y344 PolarHBondContact O-N 3.41Å; Y344-N346 PolarHBondContact O-N 2.96Å; Y344-R351 PolarHBondContact O-NH2 2.98Å; Y344-R351 VanDerWaalsContact O-NH2 3.09Å
345	A	96.3	Very high	96.3	Very high	81 Å²	81	66.9 Å²	66.9	67%	0.669	37%	0.365	S	S	*	.	H	α-helix	trans	-63.7	-25.1	169.5	0	0	0	0	0	111.8	K341 E342	K341-A345 WeakPolarHBondContact O-CB 3.3Å; K341-A345 PolarHBondContact O-N 3.12Å; E342-A345 WeakPolarHBondContact O-CB 3.29Å; E342-A345 PolarHBondContact O-N 3.29Å
346	N	96.2	Very high	96.2	Very high	74 Å²	74	68.2 Å²	68.2	40%	0.396	37%	0.371	S	S	.	.	S	Bend	trans	-74.6	145.8	172.5	-68	-69.6	0	0	0	111.8	E342 Y343 Y344 R351	E342-N346 PolarHBondContact O-ND2 3.1Å; E342-N346 VanDerWaalsContact O-ND2 3.14Å; Y343-N346 PolarHBondContact O-N 2.82Å; Y344-N346 PolarHBondContact O-N 2.96Å; N346-R351 HydrophobicContact CB-CG 4.13Å; N346-R351 WeakPolarHBondContact O-CG 3.2Å; N346-R351 PolarHBondContact O-NE 2.64Å
347	P	93.9	Very high	96	Very high	79 Å²	79	69.9 Å²	69.9	51%	0.513	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-67.3	154.8	175.6	29.7	-35.2	0	0	0	111.6	G349 K350	P347-G349 PolarHBondContact O-N 3.36Å; P347-K350 HydrophobicContact CG-CB 4.2Å; P347-K350 HydrophobicContact CG-CD 4.05Å; P347-K350 HydrophobicContact CG-CG 4.27Å; P347-K350 PolarHBondContact O-N 3.44Å
348	I	92.6	Very high	95.6	Very high	78 Å²	78	71.8 Å²	71.8	40%	0.4	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	137.3	174.9	-56.1	172.6	0	0	0	109.5	P45 L47 D277 K350	P45-I348 HydrophobicContact CB-CD1 3.84Å; P45-I348 HydrophobicContact CG-CD1 3.65Å; L47-I348 HydrophobicContact CD1-CD1 4.39Å; L47-I348 HydrophobicContact CD2-CD1 4.3Å; D277-I348 HydrophobicContact CB-CG2 3.99Å; I348-K350 VanDerWaalsContact C-N 3.31Å; I348-K350 PolarHBondContact O-N 3.41Å
349	G	89.6	Confident	95	Very high	77 Å²	77	69.2 Å²	69.2	79%	0.794	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-14.3	-175.4	0	0	0	0	0	114.9	P347	P347-G349 PolarHBondContact O-N 3.36Å
350	K	94.8	Very high	94.5	Very high	160 Å²	160	70.1 Å²	70.1	70%	0.696	39%	0.392	S	S	*	.	S	Bend	trans	-111.7	-0.6	170.1	-63.8	-167.8	178.6	-175.6	0	113.6	P347 I348 S352	P347-K350 HydrophobicContact CG-CB 4.2Å; P347-K350 HydrophobicContact CG-CD 4.05Å; P347-K350 HydrophobicContact CG-CG 4.27Å; P347-K350 PolarHBondContact O-N 3.44Å; I348-K350 VanDerWaalsContact C-N 3.31Å; I348-K350 PolarHBondContact O-N 3.41Å; K350-S352 PolarHBondContact O-N 3.34Å
351	R	96.5	Very high	94.3	Very high	35 Å²	35	71 Å²	71	13%	0.132	40%	0.398	C	S	.	.			trans	-74.8	120.5	178.4	-62.5	179.8	174.8	171.2	-11.3	109.1	P276 H296 Y343 Y344 N346	P276-R351 HydrophobicContact CB-CB 4.28Å; P276-R351 WeakPolarHBondContact O-CD 3.14Å; P276-R351 PolarHBondContact O-NH1 2.71Å; H296-R351 PolarHBondContact CE1-O 2.86Å; Y343-R351 HydrophobicContact CD1-CB 4.33Å; Y343-R351 HydrophobicContact CE1-CB 3.7Å; Y343-R351 HydrophobicContact CE1-CG 4.25Å; Y343-R351 HydrophobicContact CE2-CB 4.03Å; Y344-R351 PolarHBondContact O-NH2 2.98Å; Y344-R351 VanDerWaalsContact O-NH2 3.09Å; N346-R351 HydrophobicContact CB-CG 4.13Å; N346-R351 WeakPolarHBondContact O-CG 3.2Å; N346-R351 PolarHBondContact O-NE 2.64Å
352	S	96.4	Very high	94.1	Very high	59 Å²	59	68 Å²	68	41%	0.413	39%	0.388	S	S	.	.			trans	-157.1	146.3	177.8	-174.4	0	0	0	0	108.4	F120 K350	F120-S352 WeakPolarHBondContact CE1-OG 3.3Å; K350-S352 PolarHBondContact O-N 3.34Å
353	F	97.6	Very high	94.1	Very high	18 Å²	18	61.6 Å²	61.6	8%	0.079	36%	0.358	C	S	.	.			trans	-82.1	173.9	162.7	-59.4	-67.8	0	0	0	109.8	F120 T272 A274 H296 H298 I339 L340 Y343	F120-F353 HydrophobicContact CB-CB 3.73Å; F120-F353 HydrophobicContact CB-CD2 4.49Å; F120-F353 HydrophobicContact CD1-CB 3.83Å; F120-F353 WeakPolarHBondContact CD1-O 3.37Å; F120-F353 HydrophobicContact CD2-CB 4.17Å; F120-F353 AromaticContact CD2-CD2 3.9Å; F120-F353 HydrophobicContact CD2-CD2 3.9Å; F120-F353 HydrophobicContact CE1-CB 4.48Å; F120-F353 WeakPolarHBondContact CE1-O 3.32Å; F120-F353 HydrophobicContact CE2-CD2 4.35Å; F120-F353 HydrophobicContact CG-CB 3.67Å; F120-F353 HydrophobicContact CG-CD2 4.25Å; F120-F353 HydrophobicContact CG-CG 4.48Å; T272-F353 HydrophobicContact CG2-CE1 4.43Å; T272-F353 HydrophobicContact CG2-CZ 4Å; A274-F353 HydrophobicContact CB-CE2 3.85Å; A274-F353 HydrophobicContact CB-CZ 3.67Å; H296-F353 HydrophobicContact CB-CD2 3.95Å; H296-F353 HydrophobicContact CB-CE2 3.78Å; H298-F353 HydrophobicContact CB-CB 4.11Å; H298-F353 HydrophobicContact CB-CD1 4.13Å; H298-F353 HydrophobicContact CB-CD2 3.62Å; H298-F353 HydrophobicContact CB-CE1 4.48Å; H298-F353 HydrophobicContact CB-CE2 3.97Å; H298-F353 HydrophobicContact CB-CG 3.69Å; H298-F353 HydrophobicContact CB-CZ 4.38Å; I339-F353 HydrophobicContact CG2-CD1 3.96Å; I339-F353 HydrophobicContact CG2-CE1 3.56Å; L340-F353 HydrophobicContact CD2-CZ 4.27Å; Y343-F353 AromaticContact CD2-CD1 3.58Å; Y343-F353 HydrophobicContact CD2-CD1 3.58Å; Y343-F353 HydrophobicContact CD2-CD2 4.2Å; Y343-F353 AromaticContact CD2-CE1 3.36Å; Y343-F353 HydrophobicContact CD2-CE1 3.36Å; Y343-F353 HydrophobicContact CD2-CE2 4.06Å; Y343-F353 AromaticContact CD2-CG 4Å; Y343-F353 HydrophobicContact CD2-CG 4Å; Y343-F353 AromaticContact CD2-CZ 3.65Å; Y343-F353 HydrophobicContact CD2-CZ 3.65Å; Y343-F353 HydrophobicContact CE2-CD1 4.15Å; Y343-F353 AromaticContact CE2-CD2 3.93Å; Y343-F353 HydrophobicContact CE2-CD2 3.93Å; Y343-F353 HydrophobicContact CE2-CE1 4.01Å; Y343-F353 AromaticContact CE2-CE2 3.84Å; Y343-F353 HydrophobicContact CE2-CE2 3.84Å; Y343-F353 HydrophobicContact CE2-CG 4.11Å; Y343-F353 AromaticContact CE2-CZ 3.88Å; Y343-F353 HydrophobicContact CE2-CZ 3.88Å; Y343-F353 HydrophobicContact CG-CD1 4.38Å; Y343-F353 AromaticContact CG-CE1 3.78Å; Y343-F353 HydrophobicContact CG-CE1 3.78Å; Y343-F353 HydrophobicContact CG-CZ 4.02Å
354	Q	93.8	Very high	94.1	Very high	153 Å²	153	61.8 Å²	61.8	72%	0.715	36%	0.358	S	S	*	.	S	Bend	trans	-81.8	158.4	174.5	-64.4	-178.1	-6.5	0	0	110.8	F120	F120-Q354 WeakPolarHBondContact CB-O 3.33Å
355	N	95	Very high	93.9	Very high	119 Å²	119	67.2 Å²	67.2	64%	0.636	38%	0.38	S	S	*	.	S	Bend	trans	57.7	60.9	173.6	-55.2	-20.8	0	0	0	113.4	F120 G121 I357	F120-N355 CarbonylContact C-O 3.54Å; F120-N355 VanDerWaalsContact CA-O 3.3Å; F120-N355 WeakPolarHBondContact CA-O 3.12Å; G121-N355 PolarHBondContact N-O 2.8Å; N355-I357 PolarHBondContact O-N 3.13Å
356	E	95.6	Very high	93.7	Very high	85 Å²	85	66.1 Å²	66.1	40%	0.397	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	134	171.6	-166.3	178.5	178.6	0	0	110.9	R118 H119 F120	R118-E356 IonicContact CZ-OE1 3.29Å; R118-E356 IonicContact CZ-OE2 3.07Å; R118-E356 IonicContact NE-OE1 3.58Å; R118-E356 PolarHBondContact NE-OE1 2.77Å; R118-E356 IonicContact NE-OE2 3.96Å; R118-E356 IonicContact NH2-OE1 2.61Å; R118-E356 PolarHBondContact NH2-OE1 3.24Å; R118-E356 IonicContact NH2-OE2 3.39Å; R118-E356 PolarHBondContact NH2-OE2 3.14Å; H119-E356 WeakPolarHBondContact O-CA 3.38Å; H119-E356 WeakPolarHBondContact O-CG 3.27Å; F120-E356 HydrophobicContact CD1-CB 3.63Å; F120-E356 HydrophobicContact CD1-CG 4.02Å; F120-E356 HydrophobicContact CE1-CB 3.53Å; F120-E356 HydrophobicContact CE1-CG 3.71Å; F120-E356 HydrophobicContact CZ-CB 4.41Å; F120-E356 HydrophobicContact CZ-CG 4.11Å
357	I	93.8	Very high	93.5	Very high	36 Å²	36	64.8 Å²	64.8	19%	0.185	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.6	175.9	52.8	167.4	0	0	0	109.7	H119 R123 N355 P359	H119-I357 HydrophobicContact CB-CG1 4.21Å; H119-I357 VanDerWaalsContact CE1-CD1 3.43Å; H119-I357 WeakPolarHBondContact CE1-CD1 3.48Å; H119-I357 PolarHBondContact O-N 3.33Å; H119-I357 VanDerWaalsContact O-O 3.06Å; R123-I357 HydrophobicContact CB-CD1 4.42Å; R123-I357 HydrophobicContact CG-CD1 3.54Å; N355-I357 PolarHBondContact O-N 3.13Å; I357-P359 WeakPolarHBondContact O-CD 3.43Å
358	A	90	Very high	93.3	Very high	58 Å²	58	67.2 Å²	67.2	48%	0.479	38%	0.377	S	S	.	.			trans	-64	127.7	174.5	0	0	0	0	0	109.7	R123	R123-A358 PolarHBondContact NH1-O 3.11Å
359	P	86.2	Confident	93.2	Very high	32 Å²	32	67.4 Å²	67.4	21%	0.208	39%	0.385	C	S	.	.			trans	-55.3	146.5	174	-23.4	32.7	0	0	0	111.1	H119 I357 S361	H119-P359 HydrophobicContact CB-CG 4.19Å; I357-P359 WeakPolarHBondContact O-CD 3.43Å; P359-S361 PolarHBondContact O-N 2.87Å
360	D	87.5	Confident	93.1	Very high	48 Å²	48	67.6 Å²	67.6	26%	0.257	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-80.3	51.3	-180	-67.9	-51.3	0	0	0	111	R123 L153 D155	R123-D360 IonicContact CZ-OD1 2.66Å; R123-D360 IonicContact NH1-OD1 3.57Å; R123-D360 PolarHBondContact NH1-OD1 3.18Å; R123-D360 IonicContact NH1-OD2 3.77Å; L153-D360 PolarHBondContact O-N 3.33Å; D155-D360 PolarHBondContact N-O 3.35Å; D155-D360 WeakPolarHBondContact O-CB 3.15Å
361	S	93.9	Very high	92.9	Very high	21 Å²	21	64 Å²	64	15%	0.147	36%	0.356	C	S	.	.			trans	-73.3	130.9	-177.8	-179.9	0	0	0	0	111.9	E106 P359 V363 F364	E106-S361 WeakPolarHBondContact OE1-CB 3.4Å; E106-S361 PolarHBondContact OE1-OG 2.79Å; E106-S361 PolarHBondContact OE2-OG 3.19Å; P359-S361 PolarHBondContact O-N 2.87Å; S361-V363 VanDerWaalsContact C-N 3.31Å; S361-V363 PolarHBondContact OG-N 3.39Å; S361-F364 WeakPolarHBondContact CB-O 3.45Å; S361-F364 PolarHBondContact OG-N 3.18Å; S361-F364 PolarHBondContact OG-O 2.82Å
362	L	94.9	Very high	92.8	Very high	57 Å²	57	64.3 Å²	64.3	30%	0.298	36%	0.36	S	S	.	.	S	Bend	trans	-82.9	-13.5	167.3	-62.3	179	0	0	0	112	M103 D155 T375 L377	M103-L362 HydrophobicContact CE-CB 3.67Å; M103-L362 WeakPolarHBondContact CE-O 3.4Å; M103-L362 HydrophobicContact CG-CB 4.4Å; M103-L362 HydrophobicContact SD-CB 4.05Å; M103-L362 HydrophobicContact SD-CD1 4.31Å; D155-L362 HydrophobicContact CB-CD1 3.94Å; D155-L362 HydrophobicContact CB-CG 3.9Å; L362-T375 PolarHBondContact O-OG1 2.94Å; L362-L377 HydrophobicContact CB-CD2 4.46Å
363	V	97	Very high	92.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	-97.8	-39.7	-171.9	-173.7	0	0	0	0	111.6	M103 E106 F107 S361 F374 T375	M103-V363 HydrophobicContact CB-CG2 3.52Å; M103-V363 HydrophobicContact CE-CG2 3.72Å; M103-V363 HydrophobicContact CG-CG2 3.74Å; M103-V363 WeakPolarHBondContact O-CG2 3.21Å; E106-V363 HydrophobicContact CB-CG2 4.27Å; E106-V363 HydrophobicContact CG-CB 4.44Å; E106-V363 HydrophobicContact CG-CG2 4.35Å; E106-V363 WeakPolarHBondContact OE2-CG2 3.11Å; F107-V363 HydrophobicContact CB-CG1 4.39Å; S361-V363 VanDerWaalsContact C-N 3.31Å; S361-V363 PolarHBondContact OG-N 3.39Å; V363-F374 HydrophobicContact CG1-CD1 4.14Å; V363-F374 HydrophobicContact CG1-CE1 4.08Å; V363-F374 WeakPolarHBondContact O-CA 3.45Å; V363-T375 PolarHBondContact O-N 3.42Å; V363-T375 PolarHBondContact O-OG1 3.36Å
364	F	96.6	Very high	92.7	Very high	11 Å²	11	66.7 Å²	66.7	5%	0.048	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.2	-172.6	-58	-66.3	0	0	0	112	E106 F107 C110 K111 S361 M373 F374	E106-F364 HydrophobicContact CG-CD2 4.17Å; E106-F364 HydrophobicContact CG-CE2 4.12Å; F107-F364 HydrophobicContact CB-CZ 4.15Å; F107-F364 HydrophobicContact CD2-CZ 4.22Å; C110-F364 HydrophobicContact CB-CD2 4.12Å; C110-F364 HydrophobicContact CB-CE2 3.68Å; C110-F364 HydrophobicContact CB-CZ 4.36Å; K111-F364 HydrophobicContact CD-CE1 4.32Å; K111-F364 HydrophobicContact CG-CE1 3.69Å; K111-F364 HydrophobicContact CG-CE2 4.49Å; K111-F364 HydrophobicContact CG-CZ 3.48Å; K111-F364 VanDerWaalsContact CG-CZ 3.48Å; S361-F364 WeakPolarHBondContact CB-O 3.45Å; S361-F364 PolarHBondContact OG-N 3.18Å; S361-F364 PolarHBondContact OG-O 2.82Å; F364-M373 CarbonylContact C-O 3.57Å; F364-M373 WeakPolarHBondContact CA-O 3.25Å; F364-F374 AromaticContact CD1-CD1 4Å; F364-F374 HydrophobicContact CD1-CD1 4Å; F364-F374 HydrophobicContact CD1-CE1 4.36Å; F364-F374 HydrophobicContact CD1-CG 4.26Å; F364-F374 AromaticContact CE1-CD1 3.47Å; F364-F374 HydrophobicContact CE1-CD1 3.47Å; F364-F374 VanDerWaalsContact CE1-CD1 3.47Å; F364-F374 HydrophobicContact CE1-CD2 4.22Å; F364-F374 AromaticContact CE1-CE1 3.4Å; F364-F374 HydrophobicContact CE1-CE1 3.4Å; F364-F374 VanDerWaalsContact CE1-CE1 3.4Å; F364-F374 HydrophobicContact CE1-CE2 4.16Å; F364-F374 AromaticContact CE1-CG 3.91Å; F364-F374 HydrophobicContact CE1-CG 3.91Å; F364-F374 AromaticContact CE1-CZ 3.79Å; F364-F374 HydrophobicContact CE1-CZ 3.79Å; F364-F374 HydrophobicContact CZ-CD1 4.25Å; F364-F374 AromaticContact CZ-CE1 3.8Å; F364-F374 HydrophobicContact CZ-CE1 3.8Å; F364-F374 HydrophobicContact CZ-CZ 4.19Å
365	Y	94.4	Very high	92.9	Very high	130 Å²	130	61 Å²	61	51%	0.51	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	160.4	159.8	66.9	-87.4	0	0	0	108.5	D367 M373 F374 T375	Y365-D367 HydrophobicContact CE2-CB 4.45Å; Y365-M373 HydrophobicContact CD1-CB 4.21Å; Y365-M373 HydrophobicContact CD2-CB 4.3Å; Y365-M373 HydrophobicContact CE1-CB 3.69Å; Y365-M373 HydrophobicContact CE2-CB 3.78Å; Y365-M373 HydrophobicContact CE2-CG 4.29Å; Y365-M373 HydrophobicContact CG-CB 4.49Å; Y365-M373 VanDerWaalsContact CZ-CB 3.45Å; Y365-M373 PolarHBondContact N-O 3.15Å; Y365-M373 PolarHBondContact O-N 3.03Å; Y365-F374 VanDerWaalsContact CE1-O 3.31Å; Y365-F374 WeakPolarHBondContact CE1-O 3.23Å; Y365-T375 HydrophobicContact CD1-CG2 4.1Å
366	V	91.9	Very high	93	Very high	58 Å²	58	65.8 Å²	65.8	35%	0.352	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.4	175.8	-176.5	0	0	0	0	108.5	N371 I372	V366-N371 WeakPolarHBondContact CA-O 3.49Å; V366-I372 HydrophobicContact CG2-CG2 4.4Å
367	D	91.3	Very high	93.1	Very high	46 Å²	46	66.1 Å²	66.1	25%	0.246	36%	0.355	C	S	.	.			trans	-80.4	177.7	176.3	73.5	10.1	0	0	0	112.4	Y365 S369 D370 N371 M373	Y365-D367 HydrophobicContact CE2-CB 4.45Å; D367-S369 PolarHBondContact O-N 3.48Å; D367-S369 VanDerWaalsContact O-N 3.12Å; D367-S369 VanDerWaalsContact OD1-C 3.25Å; D367-S369 VanDerWaalsContact OD1-CA 3.3Å; D367-S369 WeakPolarHBondContact OD1-CA 3.31Å; D367-S369 WeakPolarHBondContact OD1-CB 3.43Å; D367-S369 PolarHBondContact OD1-N 3.32Å; D367-D370 PolarHBondContact O-N 2.84Å; D367-D370 VanDerWaalsContact O-N 3.09Å; D367-D370 PolarHBondContact OD1-N 2.9Å; D367-D370 VanDerWaalsContact OD1-N 3.14Å; D367-N371 PolarHBondContact N-O 3.3Å; D367-N371 PolarHBondContact OD1-N 2.82Å; D367-M373 HydrophobicContact CB-CG 4.18Å
368	S	89.2	Confident	93.3	Very high	131 Å²	131	64.4 Å²	64.4	92%	0.916	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-14	178.6	56	0	0	0	0	114.4
369	S	90.7	Very high	93.7	Very high	82 Å²	82	66.5 Å²	66.5	57%	0.573	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	15.4	177.9	-58.9	0	0	0	0	112.1	D367 N371	D367-S369 PolarHBondContact O-N 3.48Å; D367-S369 VanDerWaalsContact O-N 3.12Å; D367-S369 VanDerWaalsContact OD1-C 3.25Å; D367-S369 VanDerWaalsContact OD1-CA 3.3Å; D367-S369 WeakPolarHBondContact OD1-CA 3.31Å; D367-S369 WeakPolarHBondContact OD1-CB 3.43Å; D367-S369 PolarHBondContact OD1-N 3.32Å; S369-N371 VanDerWaalsContact CB-ND2 3.33Å; S369-N371 WeakPolarHBondContact CB-ND2 3.5Å; S369-N371 PolarHBondContact O-N 2.87Å; S369-N371 PolarHBondContact O-ND2 3.23Å
370	D	88.3	Confident	94.3	Very high	81 Å²	81	72 Å²	72	43%	0.433	37%	0.37	S	S	.	.	S	Bend	trans	65.9	21	177.2	-155.7	40.7	0	0	0	114.6	R116 D367	R116-D370 IonicContact CZ-OD1 3.53Å; R116-D370 IonicContact CZ-OD2 3.24Å; R116-D370 VanDerWaalsContact CZ-OD2 3.24Å; R116-D370 PolarHBondContact NH1-O 3.32Å; R116-D370 IonicContact NH1-OD1 2.8Å; R116-D370 IonicContact NH1-OD2 3.64Å; R116-D370 PolarHBondContact NH1-OD2 3.28Å; R116-D370 IonicContact NH2-OD1 2.65Å; R116-D370 PolarHBondContact NH2-OD1 3.16Å; R116-D370 IonicContact NH2-OD2 3.12Å; R116-D370 PolarHBondContact NH2-OD2 3.1Å; R116-D370 VanDerWaalsContact NH2-OD2 3.12Å; D367-D370 PolarHBondContact O-N 2.84Å; D367-D370 VanDerWaalsContact O-N 3.09Å; D367-D370 PolarHBondContact OD1-N 2.9Å; D367-D370 VanDerWaalsContact OD1-N 3.14Å
371	N	91.4	Very high	94.8	Very high	83 Å²	83	70.3 Å²	70.3	44%	0.444	36%	0.36	S	S	.	.			trans	-98	140.5	179.4	-59.8	-65.7	0	0	0	111.8	V366 D367 S369 M373	V366-N371 WeakPolarHBondContact CA-O 3.49Å; D367-N371 PolarHBondContact N-O 3.3Å; D367-N371 PolarHBondContact OD1-N 2.82Å; S369-N371 VanDerWaalsContact CB-ND2 3.33Å; S369-N371 WeakPolarHBondContact CB-ND2 3.5Å; S369-N371 PolarHBondContact O-N 2.87Å; S369-N371 PolarHBondContact O-ND2 3.23Å; N371-M373 HydrophobicContact CB-CE 3.34Å; N371-M373 PolarHBondContact O-N 2.81Å
372	I	92.9	Very high	95.1	Very high	42 Å²	42	69.7 Å²	69.7	22%	0.215	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116.5	173.9	52.4	163	0	0	0	111.3	C110 K111 V366	C110-I372 HydrophobicContact CB-CD1 3.86Å; K111-I372 HydrophobicContact CD-CD1 3.84Å; K111-I372 HydrophobicContact CD-CG1 4.45Å; K111-I372 WeakPolarHBondContact CE-O 3.48Å; K111-I372 HydrophobicContact CG-CD1 4.29Å; K111-I372 PolarHBondContact NZ-O 3.03Å; V366-I372 HydrophobicContact CG2-CG2 4.4Å
373	M	95.4	Very high	95.2	Very high	65 Å²	65	68.8 Å²	68.8	32%	0.32	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.9	178.2	-65.4	-58.9	141.9	0	0	110.5	F364 Y365 D367 N371	F364-M373 CarbonylContact C-O 3.57Å; F364-M373 WeakPolarHBondContact CA-O 3.25Å; Y365-M373 HydrophobicContact CD1-CB 4.21Å; Y365-M373 HydrophobicContact CD2-CB 4.3Å; Y365-M373 HydrophobicContact CE1-CB 3.69Å; Y365-M373 HydrophobicContact CE2-CB 3.78Å; Y365-M373 HydrophobicContact CE2-CG 4.29Å; Y365-M373 HydrophobicContact CG-CB 4.49Å; Y365-M373 VanDerWaalsContact CZ-CB 3.45Å; Y365-M373 PolarHBondContact N-O 3.15Å; Y365-M373 PolarHBondContact O-N 3.03Å; D367-M373 HydrophobicContact CB-CG 4.18Å; N371-M373 HydrophobicContact CB-CE 3.34Å; N371-M373 PolarHBondContact O-N 2.81Å
374	F	97.5	Very high	95.3	Very high	62 Å²	62	72 Å²	72	27%	0.272	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	136.1	177	-82.4	-76.5	0	0	0	111.1	F107 K111 V363 F364 Y365 L379	F107-F374 AromaticContact CD2-CE1 3.95Å; F107-F374 HydrophobicContact CD2-CE1 3.95Å; F107-F374 AromaticContact CD2-CZ 3.51Å; F107-F374 HydrophobicContact CD2-CZ 3.51Å; F107-F374 AromaticContact CE2-CZ 3.82Å; F107-F374 HydrophobicContact CE2-CZ 3.82Å; K111-F374 HydrophobicContact CG-CZ 4.47Å; V363-F374 HydrophobicContact CG1-CD1 4.14Å; V363-F374 HydrophobicContact CG1-CE1 4.08Å; V363-F374 WeakPolarHBondContact O-CA 3.45Å; F364-F374 AromaticContact CD1-CD1 4Å; F364-F374 HydrophobicContact CD1-CD1 4Å; F364-F374 HydrophobicContact CD1-CE1 4.36Å; F364-F374 HydrophobicContact CD1-CG 4.26Å; F364-F374 AromaticContact CE1-CD1 3.47Å; F364-F374 HydrophobicContact CE1-CD1 3.47Å; F364-F374 VanDerWaalsContact CE1-CD1 3.47Å; F364-F374 HydrophobicContact CE1-CD2 4.22Å; F364-F374 AromaticContact CE1-CE1 3.4Å; F364-F374 HydrophobicContact CE1-CE1 3.4Å; F364-F374 VanDerWaalsContact CE1-CE1 3.4Å; F364-F374 HydrophobicContact CE1-CE2 4.16Å; F364-F374 AromaticContact CE1-CG 3.91Å; F364-F374 HydrophobicContact CE1-CG 3.91Å; F364-F374 AromaticContact CE1-CZ 3.79Å; F364-F374 HydrophobicContact CE1-CZ 3.79Å; F364-F374 HydrophobicContact CZ-CD1 4.25Å; F364-F374 AromaticContact CZ-CE1 3.8Å; F364-F374 HydrophobicContact CZ-CE1 3.8Å; F364-F374 HydrophobicContact CZ-CZ 4.19Å; Y365-F374 VanDerWaalsContact CE1-O 3.31Å; Y365-F374 WeakPolarHBondContact CE1-O 3.23Å; F374-L379 HydrophobicContact CB-CB 4.07Å; F374-L379 HydrophobicContact CD1-CB 4.37Å; F374-L379 HydrophobicContact CD2-CD1 4.34Å; F374-L379 HydrophobicContact CG-CB 4.27Å; F374-L379 HydrophobicContact CG-CD1 4.43Å
375	T	97.4	Very high	95.4	Very high	34 Å²	34	71.9 Å²	71.9	21%	0.209	37%	0.374	C	S	.	.			trans	-69.5	160.2	156.2	71.4	0	0	0	0	109.2	L362 V363 Y365 L377 G378 L379	L362-T375 PolarHBondContact O-OG1 2.94Å; V363-T375 PolarHBondContact O-N 3.42Å; V363-T375 PolarHBondContact O-OG1 3.36Å; Y365-T375 HydrophobicContact CD1-CG2 4.1Å; T375-L377 VanDerWaalsContact C-N 3.27Å; T375-L377 PolarHBondContact O-N 2.97Å; T375-G378 PolarHBondContact O-N 3.25Å; T375-G378 PolarHBondContact OG1-N 3.25Å; T375-L379 PolarHBondContact O-N 3.4Å
376	Y	97.9	Very high	95.6	Very high	220 Å²	220	69.5 Å²	69.5	86%	0.863	37%	0.366	S	S	*	.	H	α-helix	trans	-58.9	-40.6	174	-66.5	-61.3	0	0	0	112.2	F380	Y376-F380 WeakPolarHBondContact O-CB 3.44Å; Y376-F380 PolarHBondContact O-N 2.83Å
377	L	97.6	Very high	95.9	Very high	92 Å²	92	72.3 Å²	72.3	48%	0.482	38%	0.378	S	S	.	.	H	α-helix	trans	-65.1	-44.1	177.2	-177.3	65.5	0	0	0	111.4	M103 L362 T375 F380 N381	M103-L377 HydrophobicContact CE-CD2 3.97Å; M103-L377 HydrophobicContact CE-CG 3.82Å; M103-L377 HydrophobicContact SD-CD2 4.46Å; L362-L377 HydrophobicContact CB-CD2 4.46Å; T375-L377 VanDerWaalsContact C-N 3.27Å; T375-L377 PolarHBondContact O-N 2.97Å; L377-F380 PolarHBondContact O-N 2.78Å; L377-N381 WeakPolarHBondContact O-CB 3.24Å; L377-N381 PolarHBondContact O-N 3.41Å
378	G	98	Very high	96.3	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-60.2	-45.1	176.8	0	0	0	0	0	112.8	T375 T382	T375-G378 PolarHBondContact O-N 3.25Å; T375-G378 PolarHBondContact OG1-N 3.25Å; G378-T382 VanDerWaalsContact O-CB 3.29Å; G378-T382 WeakPolarHBondContact O-CB 3.39Å; G378-T382 PolarHBondContact O-N 3.33Å; G378-T382 PolarHBondContact O-OG1 2.61Å
379	L	98.2	Very high	96.7	Very high	101 Å²	101	65.2 Å²	65.2	53%	0.529	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-48.1	176.7	-177.5	61.5	0	0	0	111.4	F374 T375 T382 G383	F374-L379 HydrophobicContact CB-CB 4.07Å; F374-L379 HydrophobicContact CD1-CB 4.37Å; F374-L379 HydrophobicContact CD2-CD1 4.34Å; F374-L379 HydrophobicContact CG-CB 4.27Å; F374-L379 HydrophobicContact CG-CD1 4.43Å; T375-L379 PolarHBondContact O-N 3.4Å; L379-T382 PolarHBondContact O-N 3.17Å; L379-G383 PolarHBondContact O-N 3.14Å
380	F	98.6	Very high	97	Very high	148 Å²	148	66.4 Å²	66.4	65%	0.649	34%	0.335	S	S	*	.	H	α-helix	trans	-59.5	-49.8	177.7	173.8	-96.8	0	0	0	111.6	Y376 L377 T382 G383 F384	Y376-F380 WeakPolarHBondContact O-CB 3.44Å; Y376-F380 PolarHBondContact O-N 2.83Å; L377-F380 PolarHBondContact O-N 2.78Å; F380-T382 PolarHBondContact O-N 2.85Å; F380-G383 PolarHBondContact O-N 2.85Å; F380-F384 WeakPolarHBondContact O-CB 3.41Å; F380-F384 PolarHBondContact O-N 3.42Å
381	N	98.5	Very high	97.5	Very high	12 Å²	12	64.9 Å²	64.9	6%	0.064	33%	0.33	C	S	.	.	H	α-helix	trans	-61.2	-44.3	-180	-175.7	79.9	0	0	0	111.6	S100 M103 L377 G383 F384 W385	S100-N381 WeakPolarHBondContact CA-OD1 2.78Å; S100-N381 WeakPolarHBondContact CB-OD1 3.22Å; S100-N381 PolarHBondContact O-ND2 3.09Å; S100-N381 PolarHBondContact O-OD1 3.05Å; S100-N381 PolarHBondContact OG-OD1 2.86Å; M103-N381 VanDerWaalsContact CB-ND2 3.33Å; M103-N381 WeakPolarHBondContact CB-ND2 3.43Å; M103-N381 HydrophobicContact CE-CB 4.2Å; L377-N381 WeakPolarHBondContact O-CB 3.24Å; L377-N381 PolarHBondContact O-N 3.41Å; N381-G383 PolarHBondContact O-N 2.85Å; N381-F384 WeakPolarHBondContact O-CB 3.33Å; N381-F384 PolarHBondContact O-N 2.73Å; N381-W385 VanDerWaalsContact O-CD1 3.23Å; N381-W385 PolarHBondContact O-N 2.98Å; N381-W385 VanDerWaalsContact O-N 3.16Å
382	T	98.6	Very high	97.9	Very high	9 Å²	9	61.8 Å²	61.8	6%	0.055	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-46.3	176.4	-58.1	0	0	0	0	111	F104 F107 G378 L379 F380 F384 W385 F386	F104-T382 HydrophobicContact CD2-CG2 4.4Å; F104-T382 HydrophobicContact CE2-CG2 4.46Å; F107-T382 HydrophobicContact CD1-CG2 3.74Å; F107-T382 HydrophobicContact CD2-CG2 3.92Å; F107-T382 HydrophobicContact CE1-CG2 3.87Å; F107-T382 HydrophobicContact CE2-CG2 4.03Å; F107-T382 HydrophobicContact CG-CG2 3.76Å; F107-T382 HydrophobicContact CZ-CG2 4.01Å; G378-T382 VanDerWaalsContact O-CB 3.29Å; G378-T382 WeakPolarHBondContact O-CB 3.39Å; G378-T382 PolarHBondContact O-N 3.33Å; G378-T382 PolarHBondContact O-OG1 2.61Å; L379-T382 PolarHBondContact O-N 3.17Å; F380-T382 PolarHBondContact O-N 2.85Å; T382-F384 VanDerWaalsContact C-N 3.35Å; T382-F384 PolarHBondContact O-N 3.44Å; T382-W385 PolarHBondContact O-N 3.4Å; T382-F386 HydrophobicContact CG2-CD2 3.92Å; T382-F386 HydrophobicContact CG2-CE2 3.76Å; T382-F386 VanDerWaalsContact O-CD2 3.31Å; T382-F386 WeakPolarHBondContact O-CD2 3.43Å; T382-F386 PolarHBondContact O-N 2.93Å
383	G	98.5	Very high	98.1	Very high	37 Å²	37	63 Å²	63	38%	0.381	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-41.3	175.5	0	0	0	0	0	113.1	L379 F380 N381 W385 F386 L387	L379-G383 PolarHBondContact O-N 3.14Å; F380-G383 PolarHBondContact O-N 2.85Å; N381-G383 PolarHBondContact O-N 2.85Å; G383-W385 PolarHBondContact O-N 3.47Å; G383-F386 PolarHBondContact O-N 3.26Å; G383-L387 WeakPolarHBondContact O-CB 3.45Å; G383-L387 PolarHBondContact O-N 2.9Å
384	F	98.6	Very high	98.2	Very high	69 Å²	69	67 Å²	67	30%	0.303	34%	0.336	S	S	.	.	H	α-helix	trans	-56.5	-47.1	175.7	165.1	-97.9	0	0	0	111.9	F75 F380 N381 T382 S388	F75-F384 HydrophobicContact CE1-CZ 4.48Å; F75-F384 HydrophobicContact CE2-CE1 4.01Å; F75-F384 AromaticContact CE2-CZ 3.81Å; F75-F384 HydrophobicContact CE2-CZ 3.81Å; F75-F384 HydrophobicContact CZ-CE1 4.39Å; F75-F384 AromaticContact CZ-CZ 3.77Å; F75-F384 HydrophobicContact CZ-CZ 3.77Å; F380-F384 WeakPolarHBondContact O-CB 3.41Å; F380-F384 PolarHBondContact O-N 3.42Å; N381-F384 WeakPolarHBondContact O-CB 3.33Å; N381-F384 PolarHBondContact O-N 2.73Å; T382-F384 VanDerWaalsContact C-N 3.35Å; T382-F384 PolarHBondContact O-N 3.44Å; F384-S388 WeakPolarHBondContact CE2-OG 3.43Å; F384-S388 WeakPolarHBondContact O-CB 3.43Å; F384-S388 PolarHBondContact O-N 3.3Å; F384-S388 PolarHBondContact O-OG 2.89Å
385	W	98.6	Very high	98.3	Very high	8 Å²	8	67.2 Å²	67.2	3%	0.03	34%	0.339	C	S	.	.	H	α-helix	trans	-66.4	-43	179.8	-78.5	101.2	0	0	0	112.5	F75 S100 W101 F104 N381 T382 G383 S388 M389	F75-W385 AromaticContact CD2-CH2 3.9Å; F75-W385 HydrophobicContact CD2-CH2 3.9Å; F75-W385 HydrophobicContact CD2-CZ3 4.04Å; F75-W385 HydrophobicContact CE2-CE3 4.42Å; F75-W385 HydrophobicContact CE2-CH2 4.13Å; F75-W385 AromaticContact CE2-CZ3 3.9Å; F75-W385 HydrophobicContact CE2-CZ3 3.9Å; S100-W385 PolarHBondContact O-NE1 3.48Å; S100-W385 PolarHBondContact OG-NE1 3.37Å; W101-W385 HydrophobicContact CB-CH2 3.96Å; W101-W385 HydrophobicContact CB-CZ2 3.52Å; W101-W385 AromaticContact CD1-CH2 3.57Å; W101-W385 AromaticContact CD1-CZ2 3.78Å; W101-W385 AromaticContact CD1-CZ3 3.79Å; W101-W385 HydrophobicContact CG-CH2 4.14Å; W101-W385 HydrophobicContact CG-CZ2 4.07Å; F104-W385 HydrophobicContact CB-CB 4.46Å; F104-W385 HydrophobicContact CB-CG 3.94Å; F104-W385 HydrophobicContact CD1-CB 4.44Å; F104-W385 HydrophobicContact CD1-CG 4.43Å; F104-W385 HydrophobicContact CD2-CB 3.63Å; F104-W385 HydrophobicContact CD2-CG 4.04Å; F104-W385 HydrophobicContact CE2-CB 3.9Å; F104-W385 HydrophobicContact CG-CB 3.93Å; F104-W385 AromaticContact CG-CD1 3.99Å; F104-W385 AromaticContact CG-CG 3.88Å; F104-W385 HydrophobicContact CG-CG 3.88Å; F104-W385 HydrophobicContact CZ-CB 4.42Å; N381-W385 VanDerWaalsContact O-CD1 3.23Å; N381-W385 PolarHBondContact O-N 2.98Å; N381-W385 VanDerWaalsContact O-N 3.16Å; T382-W385 PolarHBondContact O-N 3.4Å; G383-W385 PolarHBondContact O-N 3.47Å; W385-S388 PolarHBondContact O-N 2.9Å; W385-M389 WeakPolarHBondContact O-CE 3.39Å; W385-M389 WeakPolarHBondContact O-CG 3.14Å; W385-M389 PolarHBondContact O-N 3.33Å
386	F	98.6	Very high	98.3	Very high	80 Å²	80	67.2 Å²	67.2	35%	0.351	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-49.5	175.8	-82.7	-70.6	0	0	0	112.4	L63 F104 F107 T382 G383 S388 M389 V390	L63-F386 HydrophobicContact CD1-CE1 4.29Å; L63-F386 HydrophobicContact CD1-CZ 4.11Å; L63-F386 HydrophobicContact CD2-CE1 3.7Å; L63-F386 HydrophobicContact CD2-CZ 4.29Å; F104-F386 HydrophobicContact CE2-CD2 4.14Å; F104-F386 AromaticContact CE2-CE2 3.83Å; F104-F386 HydrophobicContact CE2-CE2 3.83Å; F104-F386 HydrophobicContact CE2-CZ 4.22Å; F104-F386 HydrophobicContact CZ-CE2 4.47Å; F104-F386 HydrophobicContact CZ-CZ 4.43Å; F107-F386 AromaticContact CE1-CE2 3.6Å; F107-F386 HydrophobicContact CE1-CE2 3.6Å; F107-F386 AromaticContact CE1-CZ 3.84Å; F107-F386 HydrophobicContact CE1-CZ 3.84Å; F107-F386 AromaticContact CZ-CE2 3.89Å; F107-F386 HydrophobicContact CZ-CE2 3.89Å; F107-F386 HydrophobicContact CZ-CZ 4.17Å; T382-F386 HydrophobicContact CG2-CD2 3.92Å; T382-F386 HydrophobicContact CG2-CE2 3.76Å; T382-F386 VanDerWaalsContact O-CD2 3.31Å; T382-F386 WeakPolarHBondContact O-CD2 3.43Å; T382-F386 PolarHBondContact O-N 2.93Å; G383-F386 PolarHBondContact O-N 3.26Å; F386-S388 VanDerWaalsContact C-N 3.3Å; F386-S388 PolarHBondContact O-N 2.81Å; F386-M389 HydrophobicContact CD1-CE 3.95Å; F386-M389 HydrophobicContact CE1-CE 4.37Å; F386-M389 HydrophobicContact CG-CE 4.37Å; F386-M389 PolarHBondContact O-N 2.87Å; F386-V390 PolarHBondContact O-N 3.09Å
387	L	98.5	Very high	98.3	Very high	117 Å²	117	65.9 Å²	65.9	61%	0.613	33%	0.332	S	S	*	.	H	α-helix	trans	-61.5	-41.7	178.9	-179.5	61.4	0	0	0	111.2	G383 V390 S391	G383-L387 WeakPolarHBondContact O-CB 3.45Å; G383-L387 PolarHBondContact O-N 2.9Å; L387-V390 PolarHBondContact O-N 3.15Å; L387-S391 VanDerWaalsContact O-CB 3.24Å; L387-S391 WeakPolarHBondContact O-CB 3.46Å; L387-S391 PolarHBondContact O-N 3Å; L387-S391 PolarHBondContact O-OG 3.37Å
388	S	98.5	Very high	98.3	Very high	17 Å²	17	64.7 Å²	64.7	12%	0.119	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-47.5	177.3	-66.6	0	0	0	0	111.8	F384 W385 F386 V390 S391 L392	F384-S388 WeakPolarHBondContact CE2-OG 3.43Å; F384-S388 WeakPolarHBondContact O-CB 3.43Å; F384-S388 PolarHBondContact O-N 3.3Å; F384-S388 PolarHBondContact O-OG 2.89Å; W385-S388 PolarHBondContact O-N 2.9Å; F386-S388 VanDerWaalsContact C-N 3.3Å; F386-S388 PolarHBondContact O-N 2.81Å; S388-V390 PolarHBondContact O-N 2.67Å; S388-S391 PolarHBondContact O-N 2.64Å; S388-L392 VanDerWaalsContact O-CB 3.23Å; S388-L392 WeakPolarHBondContact O-CB 3.42Å; S388-L392 WeakPolarHBondContact O-CG 3.42Å; S388-L392 PolarHBondContact O-N 3.32Å
389	M	98.1	Very high	98.3	Very high	11 Å²	11	66.9 Å²	66.9	5%	0.054	34%	0.342	C	S	.	.	H	α-helix	trans	-58.7	-47.4	179	-73.7	-176.9	-71.9	0	0	111.8	L63 F66 L70 F104 W385 F386 V393	L63-M389 HydrophobicContact CD2-CE 4.14Å; F66-M389 HydrophobicContact CD1-CB 4.35Å; F66-M389 HydrophobicContact CD1-CG 4.17Å; F66-M389 HydrophobicContact CD1-SD 3.82Å; F66-M389 HydrophobicContact CE1-CB 4.22Å; F66-M389 HydrophobicContact CE1-CG 4.46Å; L70-M389 HydrophobicContact CD1-CB 4.34Å; L70-M389 HydrophobicContact CD1-CG 4.27Å; F104-M389 HydrophobicContact CE1-CE 4.42Å; F104-M389 HydrophobicContact CE2-CE 4.48Å; F104-M389 HydrophobicContact CZ-CE 3.84Å; W385-M389 WeakPolarHBondContact O-CE 3.39Å; W385-M389 WeakPolarHBondContact O-CG 3.14Å; W385-M389 PolarHBondContact O-N 3.33Å; F386-M389 HydrophobicContact CD1-CE 3.95Å; F386-M389 HydrophobicContact CE1-CE 4.37Å; F386-M389 HydrophobicContact CG-CE 4.37Å; F386-M389 PolarHBondContact O-N 2.87Å; M389-V393 VanDerWaalsContact O-CG2 3.25Å; M389-V393 WeakPolarHBondContact O-CG2 3.47Å; M389-V393 PolarHBondContact O-N 3.22Å; M389-V393 VanDerWaalsContact O-N 3.14Å
390	V	98.3	Very high	98.3	Very high	106 Å²	106	68.3 Å²	68.3	64%	0.642	34%	0.344	S	S	*	.	H	α-helix	trans	-64.5	-46.3	178.8	176.1	0	0	0	0	111.3	F386 L387 S388 V393 Y394	F386-V390 PolarHBondContact O-N 3.09Å; L387-V390 PolarHBondContact O-N 3.15Å; S388-V390 PolarHBondContact O-N 2.67Å; V390-V393 PolarHBondContact O-N 3.41Å; V390-Y394 PolarHBondContact O-N 3.2Å; V390-Y394 VanDerWaalsContact O-N 3.11Å
391	S	98.3	Very high	98.3	Very high	49 Å²	49	70 Å²	70	34%	0.343	35%	0.348	S	S	.	.	H	α-helix	trans	-64.9	-43	-178.2	-56.3	0	0	0	0	111.9	L387 S388 Y394 L395	L387-S391 VanDerWaalsContact O-CB 3.24Å; L387-S391 WeakPolarHBondContact O-CB 3.46Å; L387-S391 PolarHBondContact O-N 3Å; L387-S391 PolarHBondContact O-OG 3.37Å; S388-S391 PolarHBondContact O-N 2.64Å; S391-Y394 WeakPolarHBondContact O-CB 3.04Å; S391-Y394 PolarHBondContact O-N 2.77Å; S391-L395 VanDerWaalsContact O-CG 3.3Å; S391-L395 WeakPolarHBondContact O-CG 3.43Å; S391-L395 PolarHBondContact O-N 3.35Å
392	L	98.3	Very high	98.2	Very high	19 Å²	19	71.7 Å²	71.7	10%	0.099	36%	0.357	C	S	.	.	H	α-helix	trans	-66.7	-39.2	179.9	-70.3	172.4	0	0	0	111.9	L70 F74 F75 S388 Y394 L395 I396	L70-L392 HydrophobicContact CB-CD1 4.15Å; L70-L392 HydrophobicContact CD1-CB 4.27Å; F74-L392 HydrophobicContact CB-CD1 3.91Å; F74-L392 HydrophobicContact CB-CD2 3.93Å; F74-L392 HydrophobicContact CD1-CD2 3.77Å; F74-L392 HydrophobicContact CD2-CB 4.48Å; F74-L392 HydrophobicContact CD2-CD1 3.9Å; F74-L392 HydrophobicContact CD2-CD2 3.94Å; F74-L392 HydrophobicContact CD2-CG 4.33Å; F74-L392 HydrophobicContact CE1-CD2 4.26Å; F74-L392 HydrophobicContact CE2-CD2 4.42Å; F74-L392 HydrophobicContact CG-CD1 4.02Å; F74-L392 HydrophobicContact CG-CD2 3.58Å; F74-L392 HydrophobicContact CG-CG 4.37Å; F75-L392 HydrophobicContact CE1-CD1 4.42Å; F75-L392 HydrophobicContact CZ-CD1 4.14Å; S388-L392 VanDerWaalsContact O-CB 3.23Å; S388-L392 WeakPolarHBondContact O-CB 3.42Å; S388-L392 WeakPolarHBondContact O-CG 3.42Å; S388-L392 PolarHBondContact O-N 3.32Å; L392-Y394 VanDerWaalsContact C-N 3.35Å; L392-L395 PolarHBondContact O-N 2.97Å; L392-I396 WeakPolarHBondContact O-CD1 3.45Å; L392-I396 WeakPolarHBondContact O-CG1 3.48Å; L392-I396 PolarHBondContact O-N 2.64Å
393	V	98.2	Very high	98.2	Very high	66 Å²	66	74.6 Å²	74.6	40%	0.4	37%	0.369	S	S	.	.	H	α-helix	trans	-60.7	-46	173.4	170.7	0	0	0	0	111.1	F66 L70 M389 V390 L395 I396 Y397	F66-V393 HydrophobicContact CE1-CG2 3.9Å; F66-V393 HydrophobicContact CZ-CG2 3.47Å; F66-V393 VanDerWaalsContact CZ-CG2 3.47Å; L70-V393 HydrophobicContact CD1-CG2 4.22Å; M389-V393 VanDerWaalsContact O-CG2 3.25Å; M389-V393 WeakPolarHBondContact O-CG2 3.47Å; M389-V393 PolarHBondContact O-N 3.22Å; M389-V393 VanDerWaalsContact O-N 3.14Å; V390-V393 PolarHBondContact O-N 3.41Å; V393-L395 VanDerWaalsContact C-N 3.33Å; V393-L395 PolarHBondContact O-N 3.14Å; V393-I396 PolarHBondContact O-N 3.46Å; V393-Y397 PolarHBondContact O-N 3.13Å
394	Y	98.3	Very high	98.2	Very high	151 Å²	151	76 Å²	76	59%	0.592	37%	0.367	S	S	*	.	H	α-helix	trans	-60.3	-43.1	176.5	176.3	-98.5	0	0	0	112	V390 S391 L392 Y397 T398	V390-Y394 PolarHBondContact O-N 3.2Å; V390-Y394 VanDerWaalsContact O-N 3.11Å; S391-Y394 WeakPolarHBondContact O-CB 3.04Å; S391-Y394 PolarHBondContact O-N 2.77Å; L392-Y394 VanDerWaalsContact C-N 3.35Å; Y394-Y397 PolarHBondContact O-N 3.2Å; Y394-T398 HydrophobicContact CD2-CG2 4.06Å; Y394-T398 HydrophobicContact CE1-CG2 4.12Å; Y394-T398 HydrophobicContact CE2-CG2 3.63Å; Y394-T398 HydrophobicContact CG-CG2 4.48Å; Y394-T398 WeakPolarHBondContact O-CB 3.45Å; Y394-T398 WeakPolarHBondContact O-CG2 3.36Å; Y394-T398 PolarHBondContact O-N 2.73Å; Y394-T398 PolarHBondContact O-OG1 3.43Å
395	L	98.3	Very high	98.2	Very high	66 Å²	66	76 Å²	76	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-66.1	-40.6	177.9	-71	173.7	0	0	0	112.7	S391 L392 V393 Y397 T398 T399 I402	S391-L395 VanDerWaalsContact O-CG 3.3Å; S391-L395 WeakPolarHBondContact O-CG 3.43Å; S391-L395 PolarHBondContact O-N 3.35Å; L392-L395 PolarHBondContact O-N 2.97Å; V393-L395 VanDerWaalsContact C-N 3.33Å; V393-L395 PolarHBondContact O-N 3.14Å; L395-Y397 VanDerWaalsContact C-N 3.28Å; L395-Y397 PolarHBondContact O-N 3.31Å; L395-T398 PolarHBondContact O-N 2.95Å; L395-T399 VanDerWaalsContact O-CB 3.31Å; L395-T399 WeakPolarHBondContact O-CB 3.44Å; L395-T399 PolarHBondContact O-N 2.81Å; L395-I402 HydrophobicContact CB-CG2 4.29Å
396	I	98.1	Very high	98.2	Very high	33 Å²	33	77.4 Å²	77.4	17%	0.169	37%	0.372	C	S	.	.	H	α-helix	trans	-60.6	-40.7	173.5	-66.9	161	0	0	0	110.3	L70 F74 L392 V393 I402 Q403 F406	L70-I396 HydrophobicContact CD2-CD1 3.95Å; F74-I396 HydrophobicContact CE2-CD1 3.81Å; F74-I396 HydrophobicContact CE2-CG1 4.17Å; F74-I396 HydrophobicContact CZ-CD1 3.97Å; F74-I396 HydrophobicContact CZ-CG1 3.79Å; L392-I396 WeakPolarHBondContact O-CD1 3.45Å; L392-I396 WeakPolarHBondContact O-CG1 3.48Å; L392-I396 PolarHBondContact O-N 2.64Å; V393-I396 PolarHBondContact O-N 3.46Å; I396-I402 HydrophobicContact CG1-CG2 4.03Å; I396-Q403 WeakPolarHBondContact O-CG 3.4Å; I396-Q403 PolarHBondContact O-NE2 2.83Å; I396-F406 HydrophobicContact CD1-CD2 3.9Å; I396-F406 HydrophobicContact CD1-CE2 3.93Å; I396-F406 HydrophobicContact CD1-CG 4.47Å; I396-F406 HydrophobicContact CD1-CZ 4.5Å; I396-F406 HydrophobicContact CG1-CD2 4.33Å; I396-F406 HydrophobicContact CG1-CG 4.49Å
397	Y	97.5	Very high	98.1	Very high	192 Å²	192	78.2 Å²	78.2	75%	0.753	38%	0.379	S	S	*	.	H	α-helix	trans	-69.8	-39.9	180	179.6	-106.8	0	0	0	112.9	V393 Y394 L395 Q403	V393-Y397 PolarHBondContact O-N 3.13Å; Y394-Y397 PolarHBondContact O-N 3.2Å; L395-Y397 VanDerWaalsContact C-N 3.28Å; L395-Y397 PolarHBondContact O-N 3.31Å; Y397-Q403 PolarHBondContact O-NE2 2.71Å
398	T	98	Very high	98.1	Very high	67 Å²	67	77.4 Å²	77.4	41%	0.411	37%	0.374	S	S	.	.	H	α-helix	trans	-96.7	-25.5	-168.7	55.1	0	0	0	0	115.2	Y394 L395	Y394-T398 HydrophobicContact CD2-CG2 4.06Å; Y394-T398 HydrophobicContact CE1-CG2 4.12Å; Y394-T398 HydrophobicContact CE2-CG2 3.63Å; Y394-T398 HydrophobicContact CG-CG2 4.48Å; Y394-T398 WeakPolarHBondContact O-CB 3.45Å; Y394-T398 WeakPolarHBondContact O-CG2 3.36Å; Y394-T398 PolarHBondContact O-N 2.73Å; Y394-T398 PolarHBondContact O-OG1 3.43Å; L395-T398 PolarHBondContact O-N 2.95Å
399	T	98.2	Very high	98.1	Very high	47 Å²	47	76.9 Å²	76.9	29%	0.288	37%	0.37	S	S	.	.			trans	-115.7	111.8	-165.9	-53.7	0	0	0	0	112	L395 Y401 I402 Q403	L395-T399 VanDerWaalsContact O-CB 3.31Å; L395-T399 WeakPolarHBondContact O-CB 3.44Å; L395-T399 PolarHBondContact O-N 2.81Å; T399-Y401 PolarHBondContact O-N 3Å; T399-I402 HydrophobicContact CG2-CB 4.25Å; T399-I402 HydrophobicContact CG2-CG1 3.66Å; T399-I402 WeakPolarHBondContact O-CB 3.03Å; T399-I402 PolarHBondContact O-N 2.98Å; T399-Q403 PolarHBondContact O-N 2.92Å; T399-Q403 VanDerWaalsContact O-N 3.1Å
400	F	97.9	Very high	98.1	Very high	130 Å²	130	78.6 Å²	78.6	57%	0.57	38%	0.379	S	S	*	.	H	α-helix	trans	-55.3	-45.9	-176.9	178.3	-113.1	0	0	0	114.2	I402 Q403 I404	F400-I402 VanDerWaalsContact C-N 3.25Å; F400-I402 PolarHBondContact O-N 2.74Å; F400-Q403 WeakPolarHBondContact O-CB 3.32Å; F400-Q403 PolarHBondContact O-N 2.79Å; F400-Q403 VanDerWaalsContact O-N 3.11Å; F400-I404 HydrophobicContact CD1-CD1 4.04Å; F400-I404 HydrophobicContact CE1-CD1 3.44Å; F400-I404 VanDerWaalsContact CE1-CD1 3.44Å; F400-I404 HydrophobicContact CE1-CG1 4.37Å; F400-I404 HydrophobicContact CE2-CD1 4.2Å; F400-I404 HydrophobicContact CE2-CG1 4.37Å; F400-I404 HydrophobicContact CZ-CD1 3.54Å; F400-I404 HydrophobicContact CZ-CG1 4.19Å; F400-I404 PolarHBondContact O-N 3.18Å; F400-I404 VanDerWaalsContact O-N 3.07Å
401	Y	97.6	Very high	98	Very high	185 Å²	185	79 Å²	79	73%	0.725	38%	0.376	S	S	*	.	H	α-helix	trans	-63.9	-32.1	178.9	-59.7	-67.4	0	0	0	112.7	T399 I404 Y405	T399-Y401 PolarHBondContact O-N 3Å; Y401-I404 PolarHBondContact O-N 2.96Å; Y401-Y405 WeakPolarHBondContact O-CB 3.4Å; Y401-Y405 PolarHBondContact O-N 2.95Å
402	I	98.1	Very high	98	Very high	47 Å²	47	80 Å²	80	24%	0.241	38%	0.377	C	S	.	.	H	α-helix	trans	-69.9	-37.2	175.1	-62.2	-62.3	0	0	0	110.6	F74 L395 I396 T399 F400 Y405 F406	F74-I402 HydrophobicContact CE1-CG2 3.83Å; F74-I402 HydrophobicContact CZ-CG2 3.94Å; L395-I402 HydrophobicContact CB-CG2 4.29Å; I396-I402 HydrophobicContact CG1-CG2 4.03Å; T399-I402 HydrophobicContact CG2-CB 4.25Å; T399-I402 HydrophobicContact CG2-CG1 3.66Å; T399-I402 WeakPolarHBondContact O-CB 3.03Å; T399-I402 PolarHBondContact O-N 2.98Å; F400-I402 VanDerWaalsContact C-N 3.25Å; F400-I402 PolarHBondContact O-N 2.74Å; I402-Y405 PolarHBondContact O-N 2.79Å; I402-F406 WeakPolarHBondContact O-CB 3.28Å; I402-F406 PolarHBondContact O-N 2.99Å
403	Q	98.4	Very high	98	Very high	69 Å²	69	79.1 Å²	79.1	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-45.2	173.7	-65.2	169.3	-11.3	0	0	111.6	I396 Y397 T399 F400 F406 I407	I396-Q403 WeakPolarHBondContact O-CG 3.4Å; I396-Q403 PolarHBondContact O-NE2 2.83Å; Y397-Q403 PolarHBondContact O-NE2 2.71Å; T399-Q403 PolarHBondContact O-N 2.92Å; T399-Q403 VanDerWaalsContact O-N 3.1Å; F400-Q403 WeakPolarHBondContact O-CB 3.32Å; F400-Q403 PolarHBondContact O-N 2.79Å; F400-Q403 VanDerWaalsContact O-N 3.11Å; Q403-F406 PolarHBondContact O-N 3.17Å; Q403-I407 WeakPolarHBondContact O-CG1 3.43Å; Q403-I407 PolarHBondContact O-N 3Å
404	I	98.2	Very high	97.9	Very high	66 Å²	66	78.8 Å²	78.8	34%	0.338	37%	0.371	S	S	.	.	H	α-helix	trans	-60.5	-51.1	175.4	-66	177.4	0	0	0	110.4	F400 Y401 F406 I407 I408	F400-I404 HydrophobicContact CD1-CD1 4.04Å; F400-I404 HydrophobicContact CE1-CD1 3.44Å; F400-I404 VanDerWaalsContact CE1-CD1 3.44Å; F400-I404 HydrophobicContact CE1-CG1 4.37Å; F400-I404 HydrophobicContact CE2-CD1 4.2Å; F400-I404 HydrophobicContact CE2-CG1 4.37Å; F400-I404 HydrophobicContact CZ-CD1 3.54Å; F400-I404 HydrophobicContact CZ-CG1 4.19Å; F400-I404 PolarHBondContact O-N 3.18Å; F400-I404 VanDerWaalsContact O-N 3.07Å; Y401-I404 PolarHBondContact O-N 2.96Å; I404-F406 VanDerWaalsContact C-N 3.29Å; I404-F406 PolarHBondContact O-N 3.43Å; I404-I407 PolarHBondContact O-N 3.14Å; I404-I408 HydrophobicContact CG2-CD1 3.54Å; I404-I408 HydrophobicContact CG2-CG1 4.19Å; I404-I408 WeakPolarHBondContact O-CG1 3.14Å; I404-I408 PolarHBondContact O-N 2.83Å
405	Y	98.2	Very high	97.8	Very high	71 Å²	71	74.3 Å²	74.3	28%	0.278	36%	0.361	S	S	.	.	H	α-helix	trans	-56.5	-44.3	178.4	173.6	-92.9	0	0	0	112	I73 F74 P78 Y401 I402 I407 I408 T409	I73-Y405 HydrophobicContact CG2-CD1 4.47Å; I73-Y405 HydrophobicContact CG2-CE1 3.96Å; I73-Y405 WeakPolarHBondContact O-CE1 3.15Å; I73-Y405 PolarHBondContact O-OH 2.87Å; F74-Y405 HydrophobicContact CD1-CD1 4.21Å; F74-Y405 AromaticContact CD1-CE1 3.9Å; F74-Y405 HydrophobicContact CD1-CE1 3.9Å; F74-Y405 AromaticContact CE1-CD1 3.81Å; F74-Y405 HydrophobicContact CE1-CD1 3.81Å; F74-Y405 AromaticContact CE1-CE1 3.96Å; F74-Y405 HydrophobicContact CE1-CE1 3.96Å; P78-Y405 VanDerWaalsContact CD-OH 3.28Å; P78-Y405 WeakPolarHBondContact CD-OH 3.33Å; P78-Y405 WeakPolarHBondContact CG-OH 3.36Å; Y401-Y405 WeakPolarHBondContact O-CB 3.4Å; Y401-Y405 PolarHBondContact O-N 2.95Å; I402-Y405 PolarHBondContact O-N 2.79Å; Y405-I407 PolarHBondContact O-N 2.83Å; Y405-I408 PolarHBondContact O-N 3.47Å; Y405-T409 VanDerWaalsContact O-CB 3.24Å; Y405-T409 WeakPolarHBondContact O-CB 3.44Å; Y405-T409 PolarHBondContact O-N 2.86Å; Y405-T409 PolarHBondContact O-OG1 2.91Å
406	F	98.2	Very high	97.7	Very high	36 Å²	36	72.2 Å²	72.2	16%	0.158	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-42.5	178.2	176.6	-103.8	0	0	0	112.2	Y69 L70 I73 F74 I396 I402 Q403 I404 Q410	Y69-F406 AromaticContact CE1-CE2 3.74Å; Y69-F406 HydrophobicContact CE1-CE2 3.74Å; Y69-F406 AromaticContact CE1-CZ 3.75Å; Y69-F406 HydrophobicContact CE1-CZ 3.75Å; Y69-F406 WeakPolarHBondContact OH-CZ 3.37Å; L70-F406 HydrophobicContact CD2-CE2 4.49Å; I73-F406 HydrophobicContact CD1-CD2 3.73Å; I73-F406 HydrophobicContact CD1-CE2 3.45Å; I73-F406 VanDerWaalsContact CD1-CE2 3.45Å; I73-F406 HydrophobicContact CD1-CZ 4.38Å; I73-F406 HydrophobicContact CG2-CD2 4Å; F74-F406 AromaticContact CE2-CD2 3.89Å; F74-F406 HydrophobicContact CE2-CD2 3.89Å; F74-F406 HydrophobicContact CE2-CE2 4.5Å; F74-F406 HydrophobicContact CZ-CB 4.33Å; F74-F406 HydrophobicContact CZ-CD2 4.04Å; I396-F406 HydrophobicContact CD1-CD2 3.9Å; I396-F406 HydrophobicContact CD1-CE2 3.93Å; I396-F406 HydrophobicContact CD1-CG 4.47Å; I396-F406 HydrophobicContact CD1-CZ 4.5Å; I396-F406 HydrophobicContact CG1-CD2 4.33Å; I396-F406 HydrophobicContact CG1-CG 4.49Å; I402-F406 WeakPolarHBondContact O-CB 3.28Å; I402-F406 PolarHBondContact O-N 2.99Å; Q403-F406 PolarHBondContact O-N 3.17Å; I404-F406 VanDerWaalsContact C-N 3.29Å; I404-F406 PolarHBondContact O-N 3.43Å; F406-Q410 VanDerWaalsContact CD1-NE2 3.33Å; F406-Q410 VanDerWaalsContact CZ-NE2 3.32Å; F406-Q410 WeakPolarHBondContact O-CG 3.41Å; F406-Q410 PolarHBondContact O-N 2.92Å; F406-Q410 PolarHBondContact O-NE2 2.93Å
407	I	97.9	Very high	97.6	Very high	97 Å²	97	71.3 Å²	71.3	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-69.4	-49.6	177.3	-66.9	166.5	0	0	0	110.8	Q403 I404 Y405 T409 Q410 L411	Q403-I407 WeakPolarHBondContact O-CG1 3.43Å; Q403-I407 PolarHBondContact O-N 3Å; I404-I407 PolarHBondContact O-N 3.14Å; Y405-I407 PolarHBondContact O-N 2.83Å; I407-T409 VanDerWaalsContact C-N 3.32Å; I407-T409 PolarHBondContact O-N 3.39Å; I407-Q410 PolarHBondContact O-N 3.48Å; I407-L411 HydrophobicContact CG2-CD1 4.17Å; I407-L411 WeakPolarHBondContact O-CG 3.48Å; I407-L411 PolarHBondContact O-N 2.93Å; I407-L411 VanDerWaalsContact O-N 3.1Å
408	I	98.1	Very high	97.4	Very high	100 Å²	100	68.8 Å²	68.8	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-59.8	-44.1	-178.4	-69.8	176.9	0	0	0	110.9	I404 Y405 Q410 L411 L412	I404-I408 HydrophobicContact CG2-CD1 3.54Å; I404-I408 HydrophobicContact CG2-CG1 4.19Å; I404-I408 WeakPolarHBondContact O-CG1 3.14Å; I404-I408 PolarHBondContact O-N 2.83Å; Y405-I408 PolarHBondContact O-N 3.47Å; I408-Q410 VanDerWaalsContact C-N 3.33Å; I408-Q410 PolarHBondContact O-N 2.8Å; I408-L411 PolarHBondContact O-N 3.13Å; I408-L412 WeakPolarHBondContact O-CB 3.32Å; I408-L412 PolarHBondContact O-N 3.39Å
409	T	97.8	Very high	97.1	Very high	6 Å²	6	74.7 Å²	74.7	4%	0.037	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-37.5	-178.2	-60.3	0	0	0	0	112.2	I73 A77 Y405 I407 L412 F413	I73-T409 HydrophobicContact CB-CG2 4.24Å; I73-T409 HydrophobicContact CG1-CG2 4.3Å; I73-T409 HydrophobicContact CG2-CG2 3.9Å; A77-T409 HydrophobicContact CB-CG2 3.31Å; Y405-T409 VanDerWaalsContact O-CB 3.24Å; Y405-T409 WeakPolarHBondContact O-CB 3.44Å; Y405-T409 PolarHBondContact O-N 2.86Å; Y405-T409 PolarHBondContact O-OG1 2.91Å; I407-T409 VanDerWaalsContact C-N 3.32Å; I407-T409 PolarHBondContact O-N 3.39Å; T409-L412 WeakPolarHBondContact O-CB 3.42Å; T409-L412 PolarHBondContact O-N 2.85Å; T409-F413 HydrophobicContact CG2-CD2 3.73Å; T409-F413 HydrophobicContact CG2-CE2 3.59Å; T409-F413 WeakPolarHBondContact O-CD2 3.45Å; T409-F413 PolarHBondContact O-N 3.4Å
410	Q	97.8	Very high	96.7	Very high	48 Å²	48	73.9 Å²	73.9	22%	0.224	35%	0.347	C	S	.	.	H	α-helix	trans	-66.1	-43.1	173.8	-73.1	-179.3	70.3	0	0	112.5	Y69 I73 W176 F406 I407 I408 L412 F413 T414	Y69-Q410 PolarHBondContact OH-NE2 2.85Å; Y69-Q410 PolarHBondContact OH-OE1 3.5Å; I73-Q410 HydrophobicContact CD1-CG 3.77Å; I73-Q410 HydrophobicContact CG1-CG 4.44Å; W176-Q410 HydrophobicContact CH2-CB 4.28Å; W176-Q410 HydrophobicContact CH2-CG 3.92Å; W176-Q410 HydrophobicContact CZ3-CG 4.17Å; F406-Q410 VanDerWaalsContact CD1-NE2 3.33Å; F406-Q410 VanDerWaalsContact CZ-NE2 3.32Å; F406-Q410 WeakPolarHBondContact O-CG 3.41Å; F406-Q410 PolarHBondContact O-N 2.92Å; F406-Q410 PolarHBondContact O-NE2 2.93Å; I407-Q410 PolarHBondContact O-N 3.48Å; I408-Q410 VanDerWaalsContact C-N 3.33Å; I408-Q410 PolarHBondContact O-N 2.8Å; Q410-L412 VanDerWaalsContact C-N 3.27Å; Q410-L412 PolarHBondContact O-N 3.27Å; Q410-F413 PolarHBondContact O-N 2.88Å; Q410-T414 VanDerWaalsContact O-CB 3.28Å; Q410-T414 WeakPolarHBondContact O-CB 3.41Å; Q410-T414 PolarHBondContact O-N 2.96Å; Q410-T414 PolarHBondContact O-OG1 2.85Å
411	L	97.4	Very high	96.4	Very high	114 Å²	114	71 Å²	71	60%	0.597	34%	0.337	S	S	*	.	H	α-helix	trans	-60.5	-41.1	174.4	-67.1	175	0	0	0	110.7	I407 I408 T414 C415	I407-L411 HydrophobicContact CG2-CD1 4.17Å; I407-L411 WeakPolarHBondContact O-CG 3.48Å; I407-L411 PolarHBondContact O-N 2.93Å; I407-L411 VanDerWaalsContact O-N 3.1Å; I408-L411 PolarHBondContact O-N 3.13Å; L411-T414 PolarHBondContact O-N 3.22Å; L411-C415 WeakPolarHBondContact O-CB 3.28Å; L411-C415 PolarHBondContact O-N 2.85Å
412	L	97.4	Very high	96.2	Very high	70 Å²	70	62.2 Å²	62.2	37%	0.366	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-51.1	176.8	-179.2	64.9	0	0	0	112.1	L80 I408 T409 Q410 T414 C415 F416	L80-L412 HydrophobicContact CD1-CD2 3.78Å; I408-L412 WeakPolarHBondContact O-CB 3.32Å; I408-L412 PolarHBondContact O-N 3.39Å; T409-L412 WeakPolarHBondContact O-CB 3.42Å; T409-L412 PolarHBondContact O-N 2.85Å; Q410-L412 VanDerWaalsContact C-N 3.27Å; Q410-L412 PolarHBondContact O-N 3.27Å; L412-T414 VanDerWaalsContact C-N 3.31Å; L412-T414 PolarHBondContact O-N 3.2Å; L412-C415 WeakPolarHBondContact O-CB 3.39Å; L412-C415 PolarHBondContact O-N 2.97Å; L412-C415 VanDerWaalsContact O-N 3.13Å; L412-F416 HydrophobicContact CD1-CD2 4.02Å; L412-F416 HydrophobicContact CD1-CE2 3.49Å; L412-F416 VanDerWaalsContact CD1-CE2 3.49Å; L412-F416 HydrophobicContact CD1-CZ 4.14Å; L412-F416 HydrophobicContact CD2-CE2 4.08Å; L412-F416 HydrophobicContact CG-CD2 3.88Å; L412-F416 HydrophobicContact CG-CE2 3.55Å; L412-F416 VanDerWaalsContact O-CD2 3.27Å; L412-F416 WeakPolarHBondContact O-CD2 3.35Å; L412-F416 PolarHBondContact O-N 2.8Å
413	F	97.9	Very high	96.1	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-37.7	176.9	-83.1	-58.2	0	0	0	112.9	S72 A77 L80 W176 T409 Q410 C415 F416 T417 V423	S72-F413 WeakPolarHBondContact O-CE2 3.33Å; S72-F413 WeakPolarHBondContact O-CZ 3.43Å; A77-F413 HydrophobicContact CB-CE2 3.66Å; A77-F413 HydrophobicContact CB-CZ 3.79Å; L80-F413 HydrophobicContact CD1-CE1 4.35Å; L80-F413 HydrophobicContact CD1-CZ 4.4Å; W176-F413 HydrophobicContact CB-CD1 3.84Å; W176-F413 HydrophobicContact CB-CD2 4.41Å; W176-F413 HydrophobicContact CB-CE1 4.08Å; W176-F413 HydrophobicContact CB-CG 4.04Å; W176-F413 HydrophobicContact CB-CZ 4.45Å; W176-F413 HydrophobicContact CD2-CB 3.6Å; W176-F413 HydrophobicContact CD2-CD1 4.49Å; W176-F413 HydrophobicContact CD2-CD2 4.01Å; W176-F413 AromaticContact CD2-CG 3.82Å; W176-F413 HydrophobicContact CD2-CG 3.82Å; W176-F413 HydrophobicContact CE3-CB 4.17Å; W176-F413 AromaticContact CE3-CD2 3.83Å; W176-F413 HydrophobicContact CE3-CD2 3.83Å; W176-F413 HydrophobicContact CE3-CE2 4.47Å; W176-F413 HydrophobicContact CE3-CG 4.14Å; W176-F413 HydrophobicContact CG-CB 3.75Å; W176-F413 AromaticContact CG-CD1 3.97Å; W176-F413 HydrophobicContact CG-CD1 3.97Å; W176-F413 HydrophobicContact CG-CD2 4.29Å; W176-F413 AromaticContact CG-CG 3.78Å; W176-F413 HydrophobicContact CG-CG 3.78Å; W176-F413 HydrophobicContact CZ2-CB 4.18Å; W176-F413 HydrophobicContact CZ3-CD2 4.45Å; T409-F413 HydrophobicContact CG2-CD2 3.73Å; T409-F413 HydrophobicContact CG2-CE2 3.59Å; T409-F413 WeakPolarHBondContact O-CD2 3.45Å; T409-F413 PolarHBondContact O-N 3.4Å; Q410-F413 PolarHBondContact O-N 2.88Å; F413-C415 VanDerWaalsContact C-N 3.31Å; F413-F416 PolarHBondContact O-N 3Å; F413-T417 WeakPolarHBondContact O-CB 3.48Å; F413-T417 PolarHBondContact O-N 3.08Å; F413-T417 PolarHBondContact O-OG1 3.09Å; F413-V423 HydrophobicContact CD1-CG2 4.08Å; F413-V423 HydrophobicContact CE1-CG2 4.09Å
414	T	96.7	Very high	95.9	Very high	59 Å²	59	56.9 Å²	56.9	36%	0.362	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-45.1	172.9	-59.5	0	0	0	0	109.8	Q410 L411 L412 T417 Y418	Q410-T414 VanDerWaalsContact O-CB 3.28Å; Q410-T414 WeakPolarHBondContact O-CB 3.41Å; Q410-T414 PolarHBondContact O-N 2.96Å; Q410-T414 PolarHBondContact O-OG1 2.85Å; L411-T414 PolarHBondContact O-N 3.22Å; L412-T414 VanDerWaalsContact C-N 3.31Å; L412-T414 PolarHBondContact O-N 3.2Å; T414-T417 PolarHBondContact O-N 3.38Å; T414-Y418 HydrophobicContact CG2-CD2 3.75Å; T414-Y418 HydrophobicContact CG2-CE2 3.96Å; T414-Y418 VanDerWaalsContact O-CD2 3.27Å; T414-Y418 WeakPolarHBondContact O-CD2 3.3Å; T414-Y418 PolarHBondContact O-N 2.84Å
415	C	96.8	Very high	95.7	Very high	58 Å²	58	54.3 Å²	54.3	39%	0.392	26%	0.264	S	S	.	.	H	α-helix	trans	-60.4	-47.7	176.7	-175.9	0	0	0	0	112	L411 L412 F413 T417 Y418 Y419	L411-C415 WeakPolarHBondContact O-CB 3.28Å; L411-C415 PolarHBondContact O-N 2.85Å; L412-C415 WeakPolarHBondContact O-CB 3.39Å; L412-C415 PolarHBondContact O-N 2.97Å; L412-C415 VanDerWaalsContact O-N 3.13Å; F413-C415 VanDerWaalsContact C-N 3.31Å; C415-T417 PolarHBondContact O-N 2.68Å; C415-Y418 PolarHBondContact O-N 2.94Å; C415-Y419 HydrophobicContact CB-CD2 4.36Å; C415-Y419 WeakPolarHBondContact O-CB 3.32Å; C415-Y419 WeakPolarHBondContact O-CD2 3.5Å; C415-Y419 PolarHBondContact O-N 2.86Å
416	F	96.1	Very high	95.6	Very high	21 Å²	21	52.7 Å²	52.7	9%	0.092	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-48.3	175	-78.3	-61.6	0	0	0	111.8	L80 L412 F413 Y418 T420 N421 G422 V423 W426	L80-F416 HydrophobicContact CD1-CE2 4.11Å; L412-F416 HydrophobicContact CD1-CD2 4.02Å; L412-F416 HydrophobicContact CD1-CE2 3.49Å; L412-F416 VanDerWaalsContact CD1-CE2 3.49Å; L412-F416 HydrophobicContact CD1-CZ 4.14Å; L412-F416 HydrophobicContact CD2-CE2 4.08Å; L412-F416 HydrophobicContact CG-CD2 3.88Å; L412-F416 HydrophobicContact CG-CE2 3.55Å; L412-F416 VanDerWaalsContact O-CD2 3.27Å; L412-F416 WeakPolarHBondContact O-CD2 3.35Å; L412-F416 PolarHBondContact O-N 2.8Å; F413-F416 PolarHBondContact O-N 3Å; F416-Y418 VanDerWaalsContact C-N 3.34Å; F416-Y418 PolarHBondContact O-N 2.74Å; F416-T420 WeakPolarHBondContact CA-OG1 3.49Å; F416-T420 HydrophobicContact CD1-CG2 3.84Å; F416-T420 WeakPolarHBondContact CD1-OG1 3.46Å; F416-T420 HydrophobicContact CE1-CG2 4.41Å; F416-T420 PolarHBondContact O-N 2.72Å; F416-T420 PolarHBondContact O-OG1 3.09Å; F416-N421 PolarHBondContact O-N 2.97Å; F416-G422 WeakPolarHBondContact O-CA 3.47Å; F416-G422 PolarHBondContact O-N 3.03Å; F416-V423 HydrophobicContact CB-CG2 3.8Å; F416-V423 HydrophobicContact CD1-CG2 4.45Å; F416-V423 HydrophobicContact CD2-CG2 3.89Å; F416-V423 HydrophobicContact CG-CG2 3.82Å; F416-W426 HydrophobicContact CD1-CB 4.29Å; F416-W426 HydrophobicContact CD1-CD2 4.28Å; F416-W426 HydrophobicContact CD1-CG 4.1Å; F416-W426 HydrophobicContact CE1-CB 4.33Å; F416-W426 AromaticContact CE1-CD1 3.89Å; F416-W426 AromaticContact CE1-CD2 3.51Å; F416-W426 HydrophobicContact CE1-CD2 3.51Å; F416-W426 AromaticContact CE1-CE2 3.69Å; F416-W426 AromaticContact CE1-CE3 3.96Å; F416-W426 HydrophobicContact CE1-CE3 3.96Å; F416-W426 AromaticContact CE1-CG 3.67Å; F416-W426 HydrophobicContact CE1-CG 3.67Å; F416-W426 HydrophobicContact CE1-CZ2 4.29Å; F416-W426 HydrophobicContact CE1-CZ3 4.49Å; F416-W426 AromaticContact CE1-NE1 3.9Å; F416-W426 HydrophobicContact CZ-CD2 4.12Å; F416-W426 HydrophobicContact CZ-CE3 4.24Å; F416-W426 HydrophobicContact CZ-CH2 4.34Å; F416-W426 HydrophobicContact CZ-CZ2 4.24Å; F416-W426 HydrophobicContact CZ-CZ3 4.33Å
417	T	95.2	Very high	95.4	Very high	14 Å²	14	51 Å²	51	9%	0.086	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-45.1	-176.9	-60.3	0	0	0	0	111.9	K170 Q179 F413 T414 C415	K170-T417 HydrophobicContact CG-CG2 4.2Å; Q179-T417 PolarHBondContact NE2-OG1 2.78Å; F413-T417 WeakPolarHBondContact O-CB 3.48Å; F413-T417 PolarHBondContact O-N 3.08Å; F413-T417 PolarHBondContact O-OG1 3.09Å; T414-T417 PolarHBondContact O-N 3.38Å; C415-T417 PolarHBondContact O-N 2.68Å
418	Y	93.2	Very high	95.2	Very high	139 Å²	139	47.3 Å²	47.3	55%	0.545	23%	0.232	S	C	.	.	H	α-helix	trans	-92.3	-32.8	-173.9	-69.8	-72.9	0	0	0	114.5	K170 T414 C415 F416	K170-Y418 HydrophobicContact CD-CE1 4.41Å; T414-Y418 HydrophobicContact CG2-CD2 3.75Å; T414-Y418 HydrophobicContact CG2-CE2 3.96Å; T414-Y418 VanDerWaalsContact O-CD2 3.27Å; T414-Y418 WeakPolarHBondContact O-CD2 3.3Å; T414-Y418 PolarHBondContact O-N 2.84Å; C415-Y418 PolarHBondContact O-N 2.94Å; F416-Y418 VanDerWaalsContact C-N 3.34Å; F416-Y418 PolarHBondContact O-N 2.74Å
419	Y	92.5	Very high	94.9	Very high	191 Å²	191	47.9 Å²	47.9	75%	0.749	23%	0.231	S	C	*	.	H	α-helix	trans	-105.2	-24.2	-173.5	-60.7	-74.9	0	0	0	114.6	C415	C415-Y419 HydrophobicContact CB-CD2 4.36Å; C415-Y419 WeakPolarHBondContact O-CB 3.32Å; C415-Y419 WeakPolarHBondContact O-CD2 3.5Å; C415-Y419 PolarHBondContact O-N 2.86Å
420	T	90.3	Very high	94.5	Very high	31 Å²	31	51.2 Å²	51.2	19%	0.19	24%	0.243	C	C	.	.	S	Bend	trans	-108.8	4.8	-179.2	75.2	0	0	0	0	114	F416 G422	F416-T420 WeakPolarHBondContact CA-OG1 3.49Å; F416-T420 HydrophobicContact CD1-CG2 3.84Å; F416-T420 WeakPolarHBondContact CD1-OG1 3.46Å; F416-T420 HydrophobicContact CE1-CG2 4.41Å; F416-T420 PolarHBondContact O-N 2.72Å; F416-T420 PolarHBondContact O-OG1 3.09Å; T420-G422 PolarHBondContact O-N 2.66Å; T420-G422 PolarHBondContact OG1-O 3.33Å
421	N	89.9	Confident	93.8	Very high	69 Å²	69	49.3 Å²	49.3	37%	0.369	23%	0.234	S	C	.	.	S	Bend	trans	62.6	24.5	-168.2	-55.6	-73.9	0	0	0	114	R187 R196 F416 I425	R187-N421 PolarHBondContact NH1-OD1 2.97Å; R187-N421 PolarHBondContact NH2-OD1 2.91Å; R196-N421 PolarHBondContact NH2-OD1 2.91Å; F416-N421 PolarHBondContact O-N 2.97Å; N421-I425 HydrophobicContact CB-CB 4.43Å; N421-I425 HydrophobicContact CB-CG1 4.43Å; N421-I425 HydrophobicContact CB-CG2 4.48Å
422	G	94.2	Very high	92.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.01	23%	0.228	C	C	.	.			trans	97.1	162.9	177.9	0	0	0	0	0	114.9	F416 T420 N424 I425 W426	F416-G422 WeakPolarHBondContact O-CA 3.47Å; F416-G422 PolarHBondContact O-N 3.03Å; T420-G422 PolarHBondContact O-N 2.66Å; T420-G422 PolarHBondContact OG1-O 3.33Å; G422-N424 VanDerWaalsContact C-N 3.34Å; G422-N424 PolarHBondContact O-N 3.3Å; G422-I425 PolarHBondContact O-N 3.16Å; G422-W426 WeakPolarHBondContact O-CB 3.49Å; G422-W426 PolarHBondContact O-N 2.94Å
423	V	95.8	Very high	90.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-38.6	-178.7	179.6	0	0	0	0	111.3	L80 F90 Q179 F413 F416 I425 W426 A427	L80-V423 HydrophobicContact CD2-CG1 3.62Å; L80-V423 HydrophobicContact CD2-CG2 4.28Å; F90-V423 HydrophobicContact CZ-CG1 4.28Å; Q179-V423 HydrophobicContact CB-CB 4.03Å; F413-V423 HydrophobicContact CD1-CG2 4.08Å; F413-V423 HydrophobicContact CE1-CG2 4.09Å; F416-V423 HydrophobicContact CB-CG2 3.8Å; F416-V423 HydrophobicContact CD1-CG2 4.45Å; F416-V423 HydrophobicContact CD2-CG2 3.89Å; F416-V423 HydrophobicContact CG-CG2 3.82Å; V423-I425 PolarHBondContact O-N 2.88Å; V423-W426 HydrophobicContact CG1-CE3 4.2Å; V423-W426 PolarHBondContact O-N 3.41Å; V423-A427 WeakPolarHBondContact O-CB 3.44Å; V423-A427 PolarHBondContact O-N 3.36Å
424	N	94.1	Very high	88.1	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-54.3	-48.8	176.9	56.4	-29.4	0	0	0	112.2	Q179 F183 F185 G422 T428	Q179-N424 WeakPolarHBondContact O-CA 3.35Å; Q179-N424 VanDerWaalsContact O-CB 3.24Å; Q179-N424 WeakPolarHBondContact O-CB 3.32Å; Q179-N424 PolarHBondContact O-N 3.34Å; F183-N424 PolarHBondContact O-ND2 2.75Å; F185-N424 WeakPolarHBondContact CD2-ND2 3.38Å; G422-N424 VanDerWaalsContact C-N 3.34Å; G422-N424 PolarHBondContact O-N 3.3Å; N424-T428 VanDerWaalsContact O-CG2 3.24Å; N424-T428 WeakPolarHBondContact O-CG2 3.33Å
425	I	94.6	Very high	85.8	Confident	12 Å²	12	50.3 Å²	50.3	6%	0.062	25%	0.25	C	C	.	.	H	α-helix	trans	-73.5	-39.3	178.6	-61.4	-62.1	0	0	0	111.5	R196 I200 N421 G422 V423 A427 T428	R196-I425 HydrophobicContact CB-CD1 4.28Å; R196-I425 HydrophobicContact CG-CD1 4.05Å; I200-I425 HydrophobicContact CD1-CD1 3.79Å; I200-I425 HydrophobicContact CG1-CD1 3.97Å; N421-I425 HydrophobicContact CB-CB 4.43Å; N421-I425 HydrophobicContact CB-CG1 4.43Å; N421-I425 HydrophobicContact CB-CG2 4.48Å; G422-I425 PolarHBondContact O-N 3.16Å; V423-I425 PolarHBondContact O-N 2.88Å; I425-A427 PolarHBondContact O-N 3.19Å; I425-T428 PolarHBondContact O-N 2.85Å; I425-T428 PolarHBondContact O-OG1 3.12Å
426	W	95.1	Very high	83.1	Confident	37 Å²	37	54.2 Å²	54.2	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-43.6	176.8	170.3	81.5	0	0	0	112.2	L80 A83 V84 F416 G422 V423 T428 K429 W430	L80-W426 HydrophobicContact CD2-CZ3 4.37Å; A83-W426 HydrophobicContact CB-CE3 4.44Å; A83-W426 HydrophobicContact CB-CH2 3.9Å; A83-W426 HydrophobicContact CB-CZ3 3.51Å; V84-W426 HydrophobicContact CG2-CH2 3.8Å; V84-W426 HydrophobicContact CG2-CZ2 3.77Å; F416-W426 HydrophobicContact CD1-CB 4.29Å; F416-W426 HydrophobicContact CD1-CD2 4.28Å; F416-W426 HydrophobicContact CD1-CG 4.1Å; F416-W426 HydrophobicContact CE1-CB 4.33Å; F416-W426 AromaticContact CE1-CD1 3.89Å; F416-W426 AromaticContact CE1-CD2 3.51Å; F416-W426 HydrophobicContact CE1-CD2 3.51Å; F416-W426 AromaticContact CE1-CE2 3.69Å; F416-W426 AromaticContact CE1-CE3 3.96Å; F416-W426 HydrophobicContact CE1-CE3 3.96Å; F416-W426 AromaticContact CE1-CG 3.67Å; F416-W426 HydrophobicContact CE1-CG 3.67Å; F416-W426 HydrophobicContact CE1-CZ2 4.29Å; F416-W426 HydrophobicContact CE1-CZ3 4.49Å; F416-W426 AromaticContact CE1-NE1 3.9Å; F416-W426 HydrophobicContact CZ-CD2 4.12Å; F416-W426 HydrophobicContact CZ-CE3 4.24Å; F416-W426 HydrophobicContact CZ-CH2 4.34Å; F416-W426 HydrophobicContact CZ-CZ2 4.24Å; F416-W426 HydrophobicContact CZ-CZ3 4.33Å; G422-W426 WeakPolarHBondContact O-CB 3.49Å; G422-W426 PolarHBondContact O-N 2.94Å; V423-W426 HydrophobicContact CG1-CE3 4.2Å; V423-W426 PolarHBondContact O-N 3.41Å; W426-T428 VanDerWaalsContact C-N 3.28Å; W426-T428 PolarHBondContact O-N 2.69Å; W426-K429 WeakPolarHBondContact O-CB 3.26Å; W426-K429 PolarHBondContact O-N 2.66Å; W426-W430 AromaticContact CD2-NE1 3.94Å; W426-W430 AromaticContact CE2-NE1 3.32Å; W426-W430 VanDerWaalsContact CE2-NE1 3.32Å; W426-W430 HydrophobicContact CZ2-CZ2 4.44Å; W426-W430 AromaticContact CZ2-NE1 3.37Å; W426-W430 AromaticContact NE1-NE1 3.56Å
427	A	94	Very high	80.4	Confident	1 Å²	1	55 Å²	55	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-34.1	178.8	0	0	0	0	0	112.8	A83 F90 Y203 V423 I425 K429 W430	A83-A427 HydrophobicContact CB-CB 4.43Å; F90-A427 HydrophobicContact CE1-CB 4.08Å; Y203-A427 HydrophobicContact CE2-CB 4.44Å; V423-A427 WeakPolarHBondContact O-CB 3.44Å; V423-A427 PolarHBondContact O-N 3.36Å; I425-A427 PolarHBondContact O-N 3.19Å; A427-K429 PolarHBondContact O-N 2.65Å; A427-K429 VanDerWaalsContact O-N 3.12Å; A427-W430 PolarHBondContact O-N 3.14Å
428	T	93.7	Very high	77.9	Confident	18 Å²	18	60.3 Å²	60.3	11%	0.11	30%	0.298	C	S	.	.	H	α-helix	trans	-59.9	-25.2	178.7	70.5	0	0	0	0	113.9	K199 I200 Y203 N424 I425 W426 W430	K199-T428 HydrophobicContact CB-CG2 4.32Å; I200-T428 HydrophobicContact CG1-CG2 4.31Å; Y203-T428 HydrophobicContact CD2-CG2 4.32Å; Y203-T428 HydrophobicContact CG-CG2 3.99Å; N424-T428 VanDerWaalsContact O-CG2 3.24Å; N424-T428 WeakPolarHBondContact O-CG2 3.33Å; I425-T428 PolarHBondContact O-N 2.85Å; I425-T428 PolarHBondContact O-OG1 3.12Å; W426-T428 VanDerWaalsContact C-N 3.28Å; W426-T428 PolarHBondContact O-N 2.69Å; T428-W430 VanDerWaalsContact C-N 3.27Å; T428-W430 PolarHBondContact O-N 3.09Å
429	K	92.5	Very high	75.2	Confident	113 Å²	113	57.8 Å²	57.8	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-66.6	-29.9	-177.5	-61.8	-179.2	179.6	-177.4	0	112.4	W426 A427 S432	W426-K429 WeakPolarHBondContact O-CB 3.26Å; W426-K429 PolarHBondContact O-N 2.66Å; A427-K429 PolarHBondContact O-N 2.65Å; A427-K429 VanDerWaalsContact O-N 3.12Å; K429-S432 PolarHBondContact O-OG 2.92Å
430	W	90.4	Very high	72.6	Confident	75 Å²	75	53.2 Å²	53.2	28%	0.284	28%	0.283	S	S	.	.	H	α-helix	trans	-83.6	-18.3	-170.3	-60	112.6	0	0	0	114.2	A83 V84 P87 W426 A427 T428 S432 N433 S434	A83-W430 VanDerWaalsContact O-CB 3.3Å; A83-W430 WeakPolarHBondContact O-CB 3.43Å; V84-W430 HydrophobicContact CB-CD2 4.39Å; V84-W430 HydrophobicContact CG1-CD2 4.07Å; V84-W430 HydrophobicContact CG1-CE3 3.91Å; V84-W430 HydrophobicContact CG1-CH2 4.27Å; V84-W430 HydrophobicContact CG1-CZ2 4.41Å; V84-W430 HydrophobicContact CG1-CZ3 4.02Å; V84-W430 HydrophobicContact CG2-CD2 4.14Å; V84-W430 HydrophobicContact CG2-CG 4.4Å; V84-W430 HydrophobicContact CG2-CZ2 4.09Å; P87-W430 HydrophobicContact CG-CB 4.23Å; W426-W430 AromaticContact CD2-NE1 3.94Å; W426-W430 AromaticContact CE2-NE1 3.32Å; W426-W430 VanDerWaalsContact CE2-NE1 3.32Å; W426-W430 HydrophobicContact CZ2-CZ2 4.44Å; W426-W430 AromaticContact CZ2-NE1 3.37Å; W426-W430 AromaticContact NE1-NE1 3.56Å; A427-W430 PolarHBondContact O-N 3.14Å; T428-W430 VanDerWaalsContact C-N 3.27Å; T428-W430 PolarHBondContact O-N 3.09Å; W430-S432 VanDerWaalsContact C-N 3.31Å; W430-S432 PolarHBondContact O-N 2.87Å; W430-N433 PolarHBondContact O-N 3.12Å; W430-S434 PolarHBondContact O-N 3.39Å
431	I	83.1	Confident	70.3	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-38.2	171.7	-74.2	-169.2	0	0	0	111.7	P87 Y203 K206 V207 N433 S434 V435	P87-I431 HydrophobicContact CB-CG1 3.92Å; P87-I431 HydrophobicContact CG-CG1 4.27Å; Y203-I431 HydrophobicContact CD2-CD1 3.08Å; Y203-I431 HydrophobicContact CD2-CG1 3.59Å; Y203-I431 HydrophobicContact CE2-CD1 3.73Å; Y203-I431 HydrophobicContact CE2-CG1 4.04Å; Y203-I431 HydrophobicContact CG-CD1 3.64Å; Y203-I431 WeakPolarHBondContact O-CD1 3.33Å; K206-I431 HydrophobicContact CB-CD1 3.92Å; K206-I431 HydrophobicContact CB-CG2 4.17Å; K206-I431 HydrophobicContact CD-CG2 3.46Å; K206-I431 VanDerWaalsContact CD-CG2 3.46Å; K206-I431 HydrophobicContact CG-CG2 4.44Å; V207-I431 HydrophobicContact CB-CD1 4.46Å; V207-I431 HydrophobicContact CG1-CD1 3.42Å; V207-I431 VanDerWaalsContact CG1-CD1 3.42Å; V207-I431 HydrophobicContact CG1-CG1 4.02Å; V207-I431 HydrophobicContact CG2-CD1 4.5Å; I431-N433 PolarHBondContact O-N 3.22Å; I431-S434 PolarHBondContact O-N 3.43Å; I431-S434 PolarHBondContact O-OG 2.89Å; I431-S434 VanDerWaalsContact O-OG 3.04Å; I431-V435 HydrophobicContact CG2-CG2 4.34Å; I431-V435 WeakPolarHBondContact O-CG2 3.41Å; I431-V435 PolarHBondContact O-N 3.16Å
432	S	64.2	Low	68.1	Low	68 Å²	68	60.1 Å²	60.1	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-25.5	-179	70	0	0	0	0	112.8	K429 W430 K436	K429-S432 PolarHBondContact O-OG 2.92Å; W430-S432 VanDerWaalsContact C-N 3.31Å; W430-S432 PolarHBondContact O-N 2.87Å; S432-K436 WeakPolarHBondContact O-CG 3.03Å
433	N	55.6	Low	65.5	Low	86 Å²	86	64.1 Å²	64.1	46%	0.46	33%	0.334	S	S	.	.	H	α-helix	trans	-86.5	-35.4	178.7	-67.5	-17.9	0	0	0	112	W430 I431 K436 G437	W430-N433 PolarHBondContact O-N 3.12Å; I431-N433 PolarHBondContact O-N 3.22Å; N433-K436 PolarHBondContact O-N 3.49Å; N433-G437 PolarHBondContact O-N 2.86Å; N433-G437 VanDerWaalsContact O-N 3.12Å
434	S	52.2	Low	63	Low	53 Å²	53	69.9 Å²	69.9	37%	0.371	37%	0.365	S	S	.	.	H	α-helix	trans	-67.3	-40.7	178.6	63.8	0	0	0	0	112.2	W430 I431 K436 G437 E438	W430-S434 PolarHBondContact O-N 3.39Å; I431-S434 PolarHBondContact O-N 3.43Å; I431-S434 PolarHBondContact O-OG 2.89Å; I431-S434 VanDerWaalsContact O-OG 3.04Å; S434-K436 VanDerWaalsContact C-N 3.3Å; S434-K436 PolarHBondContact O-N 3.31Å; S434-G437 PolarHBondContact O-N 3.41Å; S434-G437 VanDerWaalsContact O-N 3.09Å; S434-E438 PolarHBondContact O-N 3.41Å; S434-E438 VanDerWaalsContact O-N 3.14Å
435	V	49.3	Very low	60.5	Low	58 Å²	58	76.4 Å²	76.4	35%	0.352	40%	0.398	S	S	.	.	H	α-helix	trans	-67	-31.9	177.6	179.7	0	0	0	0	111.8	I431 G437 N439	I431-V435 HydrophobicContact CG2-CG2 4.34Å; I431-V435 WeakPolarHBondContact O-CG2 3.41Å; I431-V435 PolarHBondContact O-N 3.16Å; V435-G437 VanDerWaalsContact C-N 3.34Å; V435-N439 WeakPolarHBondContact O-CB 3.14Å; V435-N439 PolarHBondContact O-N 3.47Å; V435-N439 VanDerWaalsContact O-N 3.09Å
436	K	39.4	Very low	57.8	Low	139 Å²	139	80 Å²	80	60%	0.604	42%	0.421	S	S	*	.	H	α-helix	trans	-70	-32	172.4	-77	-176.5	177.6	-176.8	0	112.5	S432 N433 S434 N440	S432-K436 WeakPolarHBondContact O-CG 3.03Å; N433-K436 PolarHBondContact O-N 3.49Å; S434-K436 VanDerWaalsContact C-N 3.3Å; S434-K436 PolarHBondContact O-N 3.31Å; K436-N440 WeakPolarHBondContact O-CB 3.35Å; K436-N440 VanDerWaalsContact O-CG 3.25Å; K436-N440 PolarHBondContact O-N 2.97Å
437	G	39.2	Very low	54.8	Low	38 Å²	38	86.7 Å²	86.7	39%	0.392	45%	0.451	S	S	.	.	H	α-helix	trans	-63.5	-48.9	174	0	0	0	0	0	112.1	N433 S434 V435 N440 E441	N433-G437 PolarHBondContact O-N 2.86Å; N433-G437 VanDerWaalsContact O-N 3.12Å; S434-G437 PolarHBondContact O-N 3.41Å; S434-G437 VanDerWaalsContact O-N 3.09Å; V435-G437 VanDerWaalsContact C-N 3.34Å; G437-N440 PolarHBondContact O-N 3.24Å; G437-E441 PolarHBondContact O-N 2.64Å
438	E	41.8	Very low	51.9	Low	126 Å²	126	93.9 Å²	93.9	59%	0.589	49%	0.489	S	S	*	.	H	α-helix	trans	-64	-41.7	176.9	-83.6	176	153.3	0	0	112.5	S434 N440 E441 I442	S434-E438 PolarHBondContact O-N 3.41Å; S434-E438 VanDerWaalsContact O-N 3.14Å; E438-N440 VanDerWaalsContact C-N 3.31Å; E438-N440 PolarHBondContact O-N 3.22Å; E438-E441 PolarHBondContact O-N 3.16Å; E438-I442 WeakPolarHBondContact O-CG1 3.42Å; E438-I442 PolarHBondContact O-N 3.3Å
439	N	37	Very low	48.9	Very low	85 Å²	85	98.1 Å²	98.1	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-69.4	-29	178	-74.1	-11	0	0	0	112.9	V435 N443	V435-N439 WeakPolarHBondContact O-CB 3.14Å; V435-N439 PolarHBondContact O-N 3.47Å; V435-N439 VanDerWaalsContact O-N 3.09Å; N439-N443 VanDerWaalsContact O-CB 3.3Å; N439-N443 WeakPolarHBondContact O-CB 3.49Å; N439-N443 PolarHBondContact O-N 2.91Å; N439-N443 PolarHBondContact O-ND2 3.18Å; N439-N443 VanDerWaalsContact O-ND2 3.11Å
440	N	38.2	Very low	45.9	Very low	96 Å²	96	99.3 Å²	99.3	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-74.7	-36.8	174.3	-76.4	-5.3	0	0	0	111.7	K436 G437 E438 I442 N443 D444	K436-N440 WeakPolarHBondContact O-CB 3.35Å; K436-N440 VanDerWaalsContact O-CG 3.25Å; K436-N440 PolarHBondContact O-N 2.97Å; G437-N440 PolarHBondContact O-N 3.24Å; E438-N440 VanDerWaalsContact C-N 3.31Å; E438-N440 PolarHBondContact O-N 3.22Å; N440-I442 VanDerWaalsContact C-N 3.34Å; N440-N443 PolarHBondContact O-N 3.48Å; N440-D444 WeakPolarHBondContact O-CB 3.3Å; N440-D444 PolarHBondContact O-N 2.63Å
441	E	42	Very low	42.9	Very low	141 Å²	141	102.6 Å²	102.6	66%	0.659	56%	0.561	S	S	*	*	H	α-helix	trans	-66.7	-35.8	173	-77.4	-174.2	167.2	0	0	112.2	G437 E438 I445	G437-E441 PolarHBondContact O-N 2.64Å; E438-E441 PolarHBondContact O-N 3.16Å; E441-I445 WeakPolarHBondContact O-CD1 3.48Å; E441-I445 VanDerWaalsContact O-CG1 3.29Å; E441-I445 WeakPolarHBondContact O-CG1 3.47Å; E441-I445 PolarHBondContact O-N 3.02Å
442	I	44.7	Very low	40.3	Very low	104 Å²	104	106 Å²	106	53%	0.533	59%	0.59	S	S	.	*	H	α-helix	trans	-70.3	-38.2	175	-65.7	169	0	0	0	111.2	E438 N440 T446	E438-I442 WeakPolarHBondContact O-CG1 3.42Å; E438-I442 PolarHBondContact O-N 3.3Å; N440-I442 VanDerWaalsContact C-N 3.34Å; I442-T446 PolarHBondContact O-N 3.16Å; I442-T446 PolarHBondContact O-OG1 3.2Å
443	N	39.2	Very low	38.5	Very low	84 Å²	84	109.6 Å²	109.6	45%	0.449	60%	0.604	S	S	.	*	H	α-helix	trans	-72	-34	177.3	-73.1	-25.3	0	0	0	112.8	N439 N440 I445 T446 F447	N439-N443 VanDerWaalsContact O-CB 3.3Å; N439-N443 WeakPolarHBondContact O-CB 3.49Å; N439-N443 PolarHBondContact O-N 2.91Å; N439-N443 PolarHBondContact O-ND2 3.18Å; N439-N443 VanDerWaalsContact O-ND2 3.11Å; N440-N443 PolarHBondContact O-N 3.48Å; N443-I445 VanDerWaalsContact C-N 3.31Å; N443-I445 PolarHBondContact O-N 3.5Å; N443-T446 PolarHBondContact O-N 3.08Å; N443-T446 PolarHBondContact O-OG1 3.38Å; N443-F447 PolarHBondContact O-N 3.42Å
444	D	42.5	Very low	37.3	Very low	122 Å²	122	113 Å²	113	65%	0.652	62%	0.622	S	S	*	*	H	α-helix	trans	-72.5	-26	177.6	-77.3	-16.7	0	0	0	112.2	N440	N440-D444 WeakPolarHBondContact O-CB 3.3Å; N440-D444 PolarHBondContact O-N 2.63Å
445	I	42	Very low	36	Very low	140 Å²	140	115.9 Å²	115.9	72%	0.718	64%	0.642	S	S	*	*	H	α-helix	trans	-80.1	-26.1	173	-63.5	168.5	0	0	0	111.6	E441 N443	E441-I445 WeakPolarHBondContact O-CD1 3.48Å; E441-I445 VanDerWaalsContact O-CG1 3.29Å; E441-I445 WeakPolarHBondContact O-CG1 3.47Å; E441-I445 PolarHBondContact O-N 3.02Å; N443-I445 VanDerWaalsContact C-N 3.31Å; N443-I445 PolarHBondContact O-N 3.5Å
446	T	37.9	Very low	35	Very low	87 Å²	87	124.7 Å²	124.7	53%	0.534	67%	0.669	S	S	.	*	H	α-helix	trans	-93.5	-11.8	180	38.2	0	0	0	0	115.2	I442 N443	I442-T446 PolarHBondContact O-N 3.16Å; I442-T446 PolarHBondContact O-OG1 3.2Å; N443-T446 PolarHBondContact O-N 3.08Å; N443-T446 PolarHBondContact O-OG1 3.38Å
447	F	32.2	Very low	34.3	Very low	179 Å²	179	126 Å²	126	79%	0.785	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-1.4	179.9	-113.9	-86.3	0	0	0	116.4	N443	N443-F447 PolarHBondContact O-N 3.42Å
448	N	33.3	Very low	33.8	Very low	151 Å²	151	132.2 Å²	132.2	81%	0.807	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	10.4	-179.5	-86.6	-22.2	0	0	0	115.7
449	T	30.5	Very low	33.1	Very low	107 Å²	107	135.4 Å²	135.4	66%	0.656	72%	0.717	S	S	*	*	S	Bend	trans	-128.1	135.6	167.7	44.7	0	0	0	0	109.9
450	T	30	Very low	32.5	Very low	138 Å²	138	142.7 Å²	142.7	85%	0.847	74%	0.738	S	S	*	*			trans	80.2	62.7	176.9	15.2	0	0	0	0	117.9	A452	T450-A452 PolarHBondContact O-N 3.44Å
451	T	25.8	Very low	32.1	Very low	145 Å²	145	145.3 Å²	145.3	89%	0.89	75%	0.753	S	S	*	*			trans	-63	107.8	136	36.1	0	0	0	0	109.7
452	A	28.3	Very low	31.3	Very low	78 Å²	78	146.1 Å²	146.1	65%	0.645	76%	0.761	S	S	*	*			trans	172.5	122.4	137.8	0	0	0	0	0	111.5	T450	T450-A452 PolarHBondContact O-N 3.44Å
453	N	27.2	Very low	30.7	Very low	145 Å²	145	148 Å²	148	78%	0.775	78%	0.778	S	S	*	*			trans	62.5	99.2	148.6	-60	-15.8	0	0	0	118.8
454	N	29.9	Very low	30.2	Very low	157 Å²	157	151.2 Å²	151.2	84%	0.84	79%	0.794	S	S	*	*				176.1	115.7	97.5	-91.6	-32.5	0	0	0	111	R456	N454-R456 PolarHBondContact O-N 3.47Å
455	S	25.2	Very low	29.4	Very low	114 Å²	114	152.9 Å²	152.9	80%	0.797	80%	0.804	S	S	*	*			trans	-69.3	118.6	167.1	53.8	0	0	0	0	110.8
456	R	27.8	Very low	28.6	Very low	243 Å²	243	154 Å²	154	92%	0.917	81%	0.811	S	S	*	*			trans	-144	114.2	149.5	-86.4	-166.5	177.5	158.7	-0.3	110.8	N454	N454-R456 PolarHBondContact O-N 3.47Å
457	N	25.2	Very low	28	Very low	167 Å²	167	154.5 Å²	154.5	89%	0.893	82%	0.824	S	S	*	*			trans	-55	127.3	168.5	-79.2	-41.8	0	0	0	111.7
458	I	29	Very low	27.6	Very low	168 Å²	168	153.2 Å²	153.2	86%	0.862	83%	0.825	S	S	*	*			trans	-132.1	129	154.8	-61.3	-177.5	0	0	0	108
459	K	27.8	Very low	27.2	Very low	192 Å²	192	154 Å²	154	84%	0.835	83%	0.829	S	S	*	*			trans	-70.9	151.1	-170.3	-77.3	173.8	170.3	179.5	0	112.2
460	R	24.8	Very low	26.9	Very low	238 Å²	238	154.6 Å²	154.6	90%	0.898	83%	0.833	S	S	*	*			trans	-67.2	131.8	166.8	-70.7	173.5	173.4	167.1	-3.1	109.8
461	D	28.3	Very low	26.7	Very low	152 Å²	152	154.6 Å²	154.6	81%	0.813	82%	0.821	S	S	*	*			trans	-114.8	128.3	159.1	-74.1	-31.6	0	0	0	108.4
462	D	26.3	Very low	26.5	Very low	157 Å²	157	155.8 Å²	155.8	84%	0.84	82%	0.819	S	S	*	*			trans	-66.2	130.4	177.7	-66.2	-54.1	0	0	0	110.1
463	V	31.5	Very low	26.4	Very low	145 Å²	145	158.6 Å²	158.6	88%	0.879	82%	0.818	S	S	*	*			trans	-111.3	118.1	171.1	177.5	0	0	0	0	108.9
464	D	28.1	Very low	26.5	Very low	150 Å²	150	153 Å²	153	80%	0.802	79%	0.79	S	S	*	*			trans	-58.3	136.3	-170.7	-83.2	-48.1	0	0	0	115.5	N466	D464-N466 PolarHBondContact O-N 3.48Å
465	N	26	Very low	26.5	Very low	158 Å²	158	147.2 Å²	147.2	85%	0.845	76%	0.76	S	S	*	*			trans	-69.9	99.8	162.4	-77.8	-53	0	0	0	109.9
466	N	24.7	Very low	26.9	Very low	164 Å²	164	144.5 Å²	144.5	88%	0.877	74%	0.735	S	S	*	*			trans	-158.1	73.3	161.9	-116.5	-10.4	0	0	0	113.2	D464	D464-N466 PolarHBondContact O-N 3.48Å
467	A	26.1	Very low	27.2	Very low	96 Å²	96	136.3 Å²	136.3	79%	0.793	71%	0.705	S	S	*	*			trans	-153.3	45.5	165.6	0	0	0	0	0	111.7
468	N	24.6	Very low	27.5	Very low	152 Å²	152	135.8 Å²	135.8	81%	0.813	70%	0.697	S	S	*	*			trans	-124.3	76.5	173.3	-83.6	-24.3	0	0	0	108.5
469	N	24.2	Very low	27.5	Very low	167 Å²	167	131.3 Å²	131.3	89%	0.893	69%	0.692	S	S	*	*			trans	-168.9	47.3	165.5	-95.3	-19.4	0	0	0	114.2
470	V	24.3	Very low	27.5	Very low	121 Å²	121	127.2 Å²	127.2	73%	0.733	68%	0.683	S	S	*	*			trans	-148.9	85.6	160.9	-171.5	0	0	0	0	109.8
471	F	24.8	Very low	27.7	Very low	138 Å²	138	122.4 Å²	122.4	61%	0.605	68%	0.675	S	S	*	*			trans	-153.3	82.2	164.5	-88.8	-74.1	0	0	0	109.5
472	M	23.3	Very low	27.8	Very low	170 Å²	170	123.3 Å²	123.3	84%	0.837	68%	0.675	S	S	*	*			trans	-95.3	133.2	171.7	-85.3	-143.9	-161.5	0	0	111.4
473	H	25	Very low	27.9	Very low	137 Å²	137	122.1 Å²	122.1	63%	0.634	67%	0.668	S	S	*	*			trans	37.2	110.7	154.7	-68.3	-85	0	0	0	118.5	T251	T251-H473 PolarHBondContact OG1-O 3.29Å
474	S	29.2	Very low	27.9	Very low	26 Å²	26	126.9 Å²	126.9	18%	0.182	67%	0.67	C	S	.	*				-173.3	101.1	85	48.9	0	0	0	0	112.7	T251	T251-S474 WeakPolarHBondContact CB-O 3.14Å; T251-S474 PolarHBondContact OG1-N 3.02Å; T251-S474 PolarHBondContact OG1-OG 2.87Å
475	V	31.4	Very low	28.1	Very low	36 Å²	36	128.4 Å²	128.4	22%	0.218	67%	0.67	C	S	.	*	S	Bend	trans	-118.2	123.7	140.2	171.7	0	0	0	0	102.9	Y477	V475-Y477 WeakPolarHBondContact O-CD2 3.48Å; V475-Y477 WeakPolarHBondContact O-CE2 3.34Å; V475-Y477 VanDerWaalsContact O-CZ 3.31Å; V475-Y477 PolarHBondContact O-N 3.14Å
476	Q	33.3	Very low	28.3	Very low	57 Å²	57	125.7 Å²	125.7	27%	0.266	67%	0.67	S	S	.	*			trans	-57.3	107.3	-170.1	-77.6	179.9	-20.5	0	0	110.9
477	Y	33.8	Very low	28.8	Very low	71 Å²	71	127.8 Å²	127.8	28%	0.278	69%	0.689	S	S	.	*			trans	-84.7	115.9	171.2	-62.9	-59.8	0	0	0	107.4	R188 R189 I190 V475 G479	R188-Y477 VanDerWaalsContact C-CD1 3.4Å; R188-Y477 WeakPolarHBondContact O-CD1 3.35Å; R189-Y477 VanDerWaalsContact C-CE1 3.45Å; R189-Y477 VanDerWaalsContact N-CE1 3.31Å; I190-Y477 VanDerWaalsContact CA-CZ 3.49Å; I190-Y477 WeakPolarHBondContact CA-OH 3.25Å; I190-Y477 HydrophobicContact CB-CE1 4.15Å; I190-Y477 HydrophobicContact CB-CE2 3.75Å; I190-Y477 WeakPolarHBondContact CB-OH 3.46Å; I190-Y477 HydrophobicContact CD1-CE2 3.93Å; I190-Y477 WeakPolarHBondContact CD1-OH 3.45Å; I190-Y477 HydrophobicContact CG1-CE2 4.31Å; I190-Y477 WeakPolarHBondContact CG1-OH 3.45Å; I190-Y477 PolarHBondContact N-OH 3.31Å; V475-Y477 WeakPolarHBondContact O-CD2 3.48Å; V475-Y477 WeakPolarHBondContact O-CE2 3.34Å; V475-Y477 VanDerWaalsContact O-CZ 3.31Å; V475-Y477 PolarHBondContact O-N 3.14Å; Y477-G479 PolarHBondContact O-N 3.49Å
478	E	31.6	Very low	28.9	Very low	156 Å²	156	129.4 Å²	129.4	73%	0.729	68%	0.683	S	S	*	*			trans	-66.7	114.9	163.3	-75.2	-175.9	153.3	0	0	107.1	V480	E478-V480 PolarHBondContact O-N 2.92Å
479	G	29.7	Very low	29.2	Very low	74 Å²	74	128.2 Å²	128.2	76%	0.763	68%	0.677	S	S	*	*			trans	-54.7	114.3	166.2	0	0	0	0	0	107.8	Y477 D481	Y477-G479 PolarHBondContact O-N 3.49Å; G479-D481 PolarHBondContact O-N 3.43Å
480	V	27.6	Very low	29.4	Very low	107 Å²	107	126.1 Å²	126.1	65%	0.648	67%	0.665	S	S	*	*			trans	-63	106.5	170.6	175.5	0	0	0	0	105.9	E478 Q482	E478-V480 PolarHBondContact O-N 2.92Å; V480-Q482 VanDerWaalsContact C-N 3.32Å; V480-Q482 HydrophobicContact CG1-CG 4.17Å; V480-Q482 PolarHBondContact O-N 2.96Å
481	D	27.3	Very low	29.7	Very low	137 Å²	137	126.4 Å²	126.4	73%	0.733	66%	0.661	S	S	*	*			trans	-63.1	97.5	168.6	-161.4	-5.2	0	0	0	107.3	G479 N483	G479-D481 PolarHBondContact O-N 3.43Å; D481-N483 PolarHBondContact O-N 3.2Å
482	Q	30.8	Very low	30	Very low	171 Å²	171	125.6 Å²	125.6	80%	0.799	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	13.5	-176	-77.4	-168.4	-12.1	0	0	113.3	V480	V480-Q482 VanDerWaalsContact C-N 3.32Å; V480-Q482 HydrophobicContact CG1-CG 4.17Å; V480-Q482 PolarHBondContact O-N 2.96Å
483	N	27.8	Very low	30.5	Very low	131 Å²	131	122.7 Å²	122.7	70%	0.701	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	22.4	-176.1	-88.6	-16.3	0	0	0	116.2	D481 K485	D481-N483 PolarHBondContact O-N 3.2Å; N483-K485 PolarHBondContact O-N 2.91Å; N483-K485 VanDerWaalsContact O-N 3.09Å
484	R	31.5	Very low	30.9	Very low	246 Å²	246	121.6 Å²	121.6	93%	0.928	65%	0.654	S	S	*	*			trans	-81.5	74.7	153.8	-92.4	-172.7	-180	-177.9	0.5	110.1
485	K	32.8	Very low	31	Very low	181 Å²	181	129 Å²	129	79%	0.787	69%	0.69	S	S	*	*			trans	-66.2	136	158	-81.2	-176.8	176.8	178.1	0	108.4	N483 T487	N483-K485 PolarHBondContact O-N 2.91Å; N483-K485 VanDerWaalsContact O-N 3.09Å; K485-T487 PolarHBondContact O-N 2.91Å
486	A	30.3	Very low	31	Very low	102 Å²	102	136.8 Å²	136.8	84%	0.843	73%	0.729	S	S	*	*			trans	-53.3	126.2	-179.6	0	0	0	0	0	112.8
487	T	35.4	Very low	30.8	Very low	208 Å²	208	144 Å²	144	100%	1.276	77%	0.771	S	S	*	*			trans	-134.6	0	140.9	51.5	0	0	0	0	105	K485	K485-T487 PolarHBondContact O-N 2.91Å

Retrieved 487 of 487 residues in 128.1 ms (Link to these results)

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